ZINC 12

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Molport

  • MolPort-020-313-396

• Active BioPharma

  • 156
  • 113
  • 21

• AK Scientific

  • X7403

And 21 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACV1B-1-E	Activin Receptor Type-1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.29	Binding ≤ 10μM
ADCK4-1-E	Uncharacterized AarF Domain-containing Protein Kinase 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3100	0.29	Binding ≤ 10μM
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	710	0.32	Binding ≤ 10μM
CTRO-1-E	Citron Rho-interacting Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	420	0.33	Binding ≤ 10μM
DDR1-1-E	Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	0.31	Binding ≤ 10μM
DDR2-1-E	Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5000	0.27	Binding ≤ 10μM
EGFR-1-E	Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	710	0.32	Binding ≤ 10μM
EPHA6-1-E	Ephrin Type-A Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	0.31	Binding ≤ 10μM
EPHB2-1-E	Ephrin Type-B Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7800	0.26	Binding ≤ 10μM
FRK-1-E	Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	4400	0.28	Binding ≤ 10μM
GAK-1-E	Serine/threonine-protein Kinase GAK (cluster #1 Of 2), Eukaryotic	Eukaryotes	39	0.38	Binding ≤ 10μM
GSK3B-1-E	Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic	Eukaryotes	1700	0.30	Binding ≤ 10μM
KC1AL-1-E	Casein Kinase I Isoform Alpha-like (cluster #1 Of 1), Eukaryotic	Eukaryotes	1700	0.30	Binding ≤ 10μM
KC1D-1-E	Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	37	0.39	Binding ≤ 10μM
KC1E-1-E	Casein Kinase I Epsilon (cluster #1 Of 2), Eukaryotic	Eukaryotes	220	0.35	Binding ≤ 10μM
KS6A1-1-E	Ribosomal Protein S6 Kinase Alpha 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	320	0.34	Binding ≤ 10μM
KS6A6-1-E	Ribosomal Protein S6 Kinase Alpha 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	250	0.34	Binding ≤ 10μM
LCK-1-E	Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic	Eukaryotes	7800	0.26	Binding ≤ 10μM
M4K4-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3700	0.28	Binding ≤ 10μM
MK08-1-E	Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic	Eukaryotes	1200	0.31	Binding ≤ 10μM
MK09-1-E	C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	95	0.36	Binding ≤ 10μM
MK10-2-E	C-Jun N-terminal Kinase 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	90	0.37	Binding ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	78	0.37	Binding ≤ 10μM
MK12-1-E	MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	56	0.38	Binding ≤ 10μM
MK13-1-E	MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	56	0.38	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	72	0.37	Binding ≤ 10μM
MLTK-1-E	Mixed Lineage Kinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4400	0.28	Binding ≤ 10μM
MP2K2-1-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	9600	0.26	Binding ≤ 10μM
MRCKA-1-E	Serine/threonine-protein Kinase MRCK-A (cluster #1 Of 1), Eukaryotic	Eukaryotes	6200	0.27	Binding ≤ 10μM
MRCKB-1-E	Serine/threonine-protein Kinase MRCK Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	2700	0.29	Binding ≤ 10μM
MRCKG-1-E	Serine/threonine-protein Kinase MRCK Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.33	Binding ≤ 10μM
NLK-1-E	Serine/threonine Protein Kinase NLK (cluster #1 Of 1), Eukaryotic	Eukaryotes	25	0.39	Binding ≤ 10μM
PGH1-1-E	Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic	Eukaryotes	2000	0.30	Binding ≤ 10μM
PTK6-1-E	Tyrosine-protein Kinase BRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	9000	0.26	Binding ≤ 10μM
Q5SC61-1-E	Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	100	0.36	Binding ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic	Eukaryotes	980	0.31	Binding ≤ 10μM
RIPK2-1-E	Serine/threonine-protein Kinase RIPK2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	24	0.40	Binding ≤ 10μM
SLK-1-E	Serine/threonine-protein Kinase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4600	0.28	Binding ≤ 10μM
SRC-1-E	Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic	Eukaryotes	5300	0.27	Binding ≤ 10μM
ST32B-1-E	Serine/threonine-protein Kinase 32B (cluster #1 Of 1), Eukaryotic	Eukaryotes	2100	0.29	Binding ≤ 10μM
STK36-1-E	Serine/threonine-protein Kinase 36 (cluster #1 Of 1), Eukaryotic	Eukaryotes	860	0.31	Binding ≤ 10μM
TGFR1-1-E	TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic	Eukaryotes	7100	0.27	Binding ≤ 10μM
TGFR2-1-E	TGF-beta Receptor Type II (cluster #1 Of 1), Eukaryotic	Eukaryotes	1800	0.30	Binding ≤ 10μM
TNI3K-1-E	Serine/threonine-protein Kinase TNNI3K (cluster #1 Of 1), Eukaryotic	Eukaryotes	3500	0.28	Binding ≤ 10μM
TNIK-1-E	TRAF2- And NCK-interacting Kinase (cluster #1 Of 2), Eukaryotic	Eukaryotes	820	0.32	Binding ≤ 10μM
TTK-1-E	Dual Specificity Protein Kinase TTK (cluster #1 Of 2), Eukaryotic	Eukaryotes	2500	0.29	Binding ≤ 10μM
TXK-1-E	Tyrosine-protein Kinase TXK (cluster #1 Of 1), Eukaryotic	Eukaryotes	4500	0.28	Binding ≤ 10μM
LOX5-1-E	Arachidonate 5-lipoxygenase (cluster #1 Of 7), Eukaryotic	Eukaryotes	80	0.37	Functional ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	940	0.31	Functional ≤ 10μM
MK12-1-E	MAP Kinase P38 Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	940	0.31	Functional ≤ 10μM
MK13-1-E	MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	940	0.31	Functional ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	940	0.31	Functional ≤ 10μM
TNFA-1-E	TNF-alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	70	0.37	Functional ≤ 10μM
Z100081-1-O	PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other	Other	80	0.37	Functional ≤ 10μM
Z102116-1-O	Toxoplasma Gondii RH (cluster #1 Of 2), Other	Other	8500	0.26	Functional ≤ 10μM
Z50472-1-O	Toxoplasma Gondii (cluster #1 Of 4), Other	Other	2500	0.29	Functional ≤ 10μM
Z50587-1-O	Homo Sapiens (cluster #1 Of 9), Other	Other	940	0.31	Functional ≤ 10μM
Z80523-1-O	SW1353 (cluster #1 Of 2), Other	Other	50	0.38	Functional ≤ 10μM
Z80548-1-O	THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other	Other	72	0.37	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	8.8	-21.46	1	4	0	59	377.444	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.10	9.25	-46.75	2	4	1	60	378.452	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.10	9.24	-46.38	2	4	1	60	378.452	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Molport

  • MolPort-020-313-396
  • MolPort-000-006-291

• Active BioPharma

  • 156
  • 113
  • 21

And 35 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACV1B-1-E	Activin Receptor Type-1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.29	Binding ≤ 10μM
ADCK4-1-E	Uncharacterized AarF Domain-containing Protein Kinase 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3100	0.29	Binding ≤ 10μM
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	710	0.32	Binding ≤ 10μM
CTRO-1-E	Citron Rho-interacting Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	420	0.33	Binding ≤ 10μM
DDR1-1-E	Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	0.31	Binding ≤ 10μM
DDR2-1-E	Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5000	0.27	Binding ≤ 10μM
EGFR-1-E	Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	710	0.32	Binding ≤ 10μM
EPHA6-1-E	Ephrin Type-A Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	0.31	Binding ≤ 10μM
EPHB2-1-E	Ephrin Type-B Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7800	0.26	Binding ≤ 10μM
FRK-1-E	Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	4400	0.28	Binding ≤ 10μM
GAK-1-E	Serine/threonine-protein Kinase GAK (cluster #1 Of 2), Eukaryotic	Eukaryotes	39	0.38	Binding ≤ 10μM
GSK3B-1-E	Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic	Eukaryotes	1700	0.30	Binding ≤ 10μM
KC1AL-1-E	Casein Kinase I Isoform Alpha-like (cluster #1 Of 1), Eukaryotic	Eukaryotes	1700	0.30	Binding ≤ 10μM
KC1D-1-E	Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	37	0.39	Binding ≤ 10μM
KC1E-1-E	Casein Kinase I Epsilon (cluster #1 Of 2), Eukaryotic	Eukaryotes	220	0.35	Binding ≤ 10μM
KS6A1-1-E	Ribosomal Protein S6 Kinase Alpha 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	320	0.34	Binding ≤ 10μM
KS6A6-1-E	Ribosomal Protein S6 Kinase Alpha 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	250	0.34	Binding ≤ 10μM
LCK-1-E	Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic	Eukaryotes	7800	0.26	Binding ≤ 10μM
M4K4-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3700	0.28	Binding ≤ 10μM
MK08-1-E	Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic	Eukaryotes	1200	0.31	Binding ≤ 10μM
MK09-1-E	C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	95	0.36	Binding ≤ 10μM
MK10-2-E	C-Jun N-terminal Kinase 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	90	0.37	Binding ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	78	0.37	Binding ≤ 10μM
MK12-1-E	MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	56	0.38	Binding ≤ 10μM
MK13-1-E	MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	56	0.38	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	72	0.37	Binding ≤ 10μM
MLTK-1-E	Mixed Lineage Kinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4400	0.28	Binding ≤ 10μM
MP2K2-1-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	9600	0.26	Binding ≤ 10μM
MRCKA-1-E	Serine/threonine-protein Kinase MRCK-A (cluster #1 Of 1), Eukaryotic	Eukaryotes	6200	0.27	Binding ≤ 10μM
MRCKB-1-E	Serine/threonine-protein Kinase MRCK Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	2700	0.29	Binding ≤ 10μM
MRCKG-1-E	Serine/threonine-protein Kinase MRCK Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.33	Binding ≤ 10μM
NLK-1-E	Serine/threonine Protein Kinase NLK (cluster #1 Of 1), Eukaryotic	Eukaryotes	25	0.39	Binding ≤ 10μM
PGH1-1-E	Cyclooxygenase-1 (cluster #1 Of 6), Eukaryotic	Eukaryotes	2000	0.30	Binding ≤ 10μM
PTK6-1-E	Tyrosine-protein Kinase BRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	9000	0.26	Binding ≤ 10μM
Q5SC61-1-E	Mitogen-activated Protein Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	100	0.36	Binding ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic	Eukaryotes	980	0.31	Binding ≤ 10μM
RIPK2-1-E	Serine/threonine-protein Kinase RIPK2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	24	0.40	Binding ≤ 10μM
SLK-1-E	Serine/threonine-protein Kinase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4600	0.28	Binding ≤ 10μM
SRC-1-E	Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic	Eukaryotes	5300	0.27	Binding ≤ 10μM
ST32B-1-E	Serine/threonine-protein Kinase 32B (cluster #1 Of 1), Eukaryotic	Eukaryotes	2100	0.29	Binding ≤ 10μM
STK36-1-E	Serine/threonine-protein Kinase 36 (cluster #1 Of 1), Eukaryotic	Eukaryotes	860	0.31	Binding ≤ 10μM
TGFR1-1-E	TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic	Eukaryotes	7100	0.27	Binding ≤ 10μM
TGFR2-1-E	TGF-beta Receptor Type II (cluster #1 Of 1), Eukaryotic	Eukaryotes	1800	0.30	Binding ≤ 10μM
TNI3K-1-E	Serine/threonine-protein Kinase TNNI3K (cluster #1 Of 1), Eukaryotic	Eukaryotes	3500	0.28	Binding ≤ 10μM
TNIK-1-E	TRAF2- And NCK-interacting Kinase (cluster #1 Of 2), Eukaryotic	Eukaryotes	820	0.32	Binding ≤ 10μM
TTK-1-E	Dual Specificity Protein Kinase TTK (cluster #1 Of 2), Eukaryotic	Eukaryotes	2500	0.29	Binding ≤ 10μM
TXK-1-E	Tyrosine-protein Kinase TXK (cluster #1 Of 1), Eukaryotic	Eukaryotes	4500	0.28	Binding ≤ 10μM
LOX5-1-E	Arachidonate 5-lipoxygenase (cluster #1 Of 7), Eukaryotic	Eukaryotes	80	0.37	Functional ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	940	0.31	Functional ≤ 10μM
MK12-1-E	MAP Kinase P38 Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	940	0.31	Functional ≤ 10μM
MK13-1-E	MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	940	0.31	Functional ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	940	0.31	Functional ≤ 10μM
TNFA-1-E	TNF-alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	70	0.37	Functional ≤ 10μM
Z100081-1-O	PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other	Other	80	0.37	Functional ≤ 10μM
Z102116-1-O	Toxoplasma Gondii RH (cluster #1 Of 2), Other	Other	8500	0.26	Functional ≤ 10μM
Z50472-1-O	Toxoplasma Gondii (cluster #1 Of 4), Other	Other	2500	0.29	Functional ≤ 10μM
Z50587-1-O	Homo Sapiens (cluster #1 Of 9), Other	Other	940	0.31	Functional ≤ 10μM
Z80523-1-O	SW1353 (cluster #1 Of 2), Other	Other	50	0.38	Functional ≤ 10μM
Z80548-1-O	THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other	Other	72	0.37	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	8.81	-16.64	1	4	0	59	377.444	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.10	8.8	-16.98	1	4	0	59	377.444	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.10	9.25	-46.22	2	4	1	60	378.452	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Molport

  • MolPort-006-168-795

• Active BioPharma

  • 282

• AK Scientific

  • X7401

• APIChem

  • AC-24379

• Ark Pharm Building Blocks

  • AK-51367

And 17 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ABL1-1-E	Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic	Eukaryotes	6900	0.19	Binding ≤ 10μM
ANKK1-1-E	Ankyrin Repeat And Protein Kinase Domain-containing Protein 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	0.22	Binding ≤ 10μM
BLK-1-E	Tyrosine-protein Kinase BLK (cluster #1 Of 1), Eukaryotic	Eukaryotes	680	0.22	Binding ≤ 10μM
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	83	0.25	Binding ≤ 10μM
CDK19-1-E	Cell Division Cycle 2-like Protein Kinase 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.24	Binding ≤ 10μM
CDK5-1-E	Cyclin-dependent Kinase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	390	0.23	Binding ≤ 10μM
CDK8-1-E	Cell Division Protein Kinase 8 (cluster #1 Of 1), Eukaryotic	Eukaryotes	220	0.24	Binding ≤ 10μM
CSF1R-1-E	Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	8100	0.18	Binding ≤ 10μM
CTRO-1-E	Citron Rho-interacting Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	2100	0.20	Binding ≤ 10μM
DDR1-1-E	Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.31	Binding ≤ 10μM
DDR2-1-E	Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	33	0.27	Binding ≤ 10μM
EGFR-1-E	Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	9100	0.18	Binding ≤ 10μM
EPHA1-1-E	Ephrin Type-A Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	9800	0.18	Binding ≤ 10μM
EPHA2-1-E	Ephrin Type-A Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6200	0.19	Binding ≤ 10μM
EPHA3-1-E	Ephrin Type-A Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	880	0.22	Binding ≤ 10μM
EPHA4-1-E	Ephrin Type-A Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3900	0.19	Binding ≤ 10μM
EPHA5-1-E	Ephrin Type-A Receptor 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1400	0.21	Binding ≤ 10μM
EPHA6-1-E	Ephrin Type-A Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	430	0.23	Binding ≤ 10μM
EPHA7-1-E	Ephrin Type-A Receptor 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	860	0.22	Binding ≤ 10μM
EPHA8-1-E	Ephrin Type-A Receptor 8 (cluster #1 Of 1), Eukaryotic	Eukaryotes	270	0.24	Binding ≤ 10μM
EPHB1-1-E	Ephrin Type-B Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4900	0.19	Binding ≤ 10μM
EPHB2-1-E	Ephrin Type-B Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	440	0.23	Binding ≤ 10μM
FAK1-1-E	Focal Adhesion Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7100	0.18	Binding ≤ 10μM
FAK2-1-E	Protein-tyrosine Kinase 2-beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	990	0.22	Binding ≤ 10μM
FGFR1-1-E	Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4300	0.19	Binding ≤ 10μM
FLT3-1-E	Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5000	0.19	Binding ≤ 10μM
FRK-1-E	Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	360	0.23	Binding ≤ 10μM
HSPB1-1-E	Heat Shock Protein Beta-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	58	0.26	Binding ≤ 10μM
KIT-1-E	Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	260	0.24	Binding ≤ 10μM
LCK-1-E	Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic	Eukaryotes	1200	0.21	Binding ≤ 10μM
LTK-1-E	Leukocyte Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1400	0.21	Binding ≤ 10μM
LYN-1-E	Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic	Eukaryotes	2700	0.20	Binding ≤ 10μM
M4K4-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	90	0.25	Binding ≤ 10μM
MERTK-1-E	Proto-oncogene Tyrosine-protein Kinase MER (cluster #1 Of 1), Eukaryotic	Eukaryotes	3700	0.19	Binding ≤ 10μM
MK09-1-E	C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	98	0.25	Binding ≤ 10μM
MK10-1-E	C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	62	0.26	Binding ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	220	0.24	Binding ≤ 10μM
MK12-1-E	MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	19	0.28	Binding ≤ 10μM
MK13-1-E	MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	89	0.25	Binding ≤ 10μM
MK15-1-E	Mitogen-activated Protein Kinase 15 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.20	Binding ≤ 10μM
MKNK2-1-E	MAP Kinase Signal-integrating Kinase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1600	0.21	Binding ≤ 10μM
MLTK-1-E	Mixed Lineage Kinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	860	0.22	Binding ≤ 10μM
MRCKA-1-E	Serine/threonine-protein Kinase MRCK-A (cluster #1 Of 1), Eukaryotic	Eukaryotes	9400	0.18	Binding ≤ 10μM
MRCKB-1-E	Serine/threonine-protein Kinase MRCK Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	910	0.22	Binding ≤ 10μM
MRCKG-1-E	Serine/threonine-protein Kinase MRCK Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	0.21	Binding ≤ 10μM
MUSK-1-E	Muscle, Skeletal Receptor Tyrosine Protein Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.21	Binding ≤ 10μM
NLK-1-E	Serine/threonine Protein Kinase NLK (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	0.22	Binding ≤ 10μM
NTRK1-1-E	Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic	Eukaryotes	770	0.22	Binding ≤ 10μM
NTRK2-1-E	Neurotrophic Tyrosine Kinase Receptor Type 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	570	0.22	Binding ≤ 10μM
NTRK3-1-E	NT-3 Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	190	0.24	Binding ≤ 10μM
PGFRA-1-E	Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	1200	0.21	Binding ≤ 10μM
PGFRB-1-E	Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	1100	0.21	Binding ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic	Eukaryotes	1400	0.21	Binding ≤ 10μM
RET-1-E	Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic	Eukaryotes	500	0.23	Binding ≤ 10μM
SLK-1-E	Serine/threonine-protein Kinase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	86	0.25	Binding ≤ 10μM
STK10-1-E	Serine/threonine-protein Kinase 10 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.29	Binding ≤ 10μM
TIE1-1-E	Tyrosine-protein Kinase Receptor Tie-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.29	Binding ≤ 10μM
TIE2-1-E	Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	20	0.28	Binding ≤ 10μM
TNFA-1-E	TNF-alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	780	0.22	Binding ≤ 10μM
TNIK-1-E	TRAF2- And NCK-interacting Kinase (cluster #1 Of 2), Eukaryotic	Eukaryotes	10	0.29	Binding ≤ 10μM
TTK-1-E	Dual Specificity Protein Kinase TTK (cluster #1 Of 2), Eukaryotic	Eukaryotes	3300	0.20	Binding ≤ 10μM
VGFR1-1-E	Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	410	0.23	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3900	0.19	Binding ≤ 10μM
VGFR3-1-E	Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7100	0.18	Binding ≤ 10μM
YES-1-E	Tyrosine-protein Kinase YES (cluster #1 Of 1), Eukaryotic	Eukaryotes	4900	0.19	Binding ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	18	0.28	Functional ≤ 10μM
MK12-1-E	MAP Kinase P38 Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	18	0.28	Functional ≤ 10μM
MK13-1-E	MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	18	0.28	Functional ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	18	0.28	Functional ≤ 10μM
Z100081-1-O	PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other	Other	30	0.27	Functional ≤ 10μM
Z102213-1-O	Blood (cluster #1 Of 2), Other	Other	780	0.22	Functional ≤ 10μM
Z80548-1-O	THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other	Other	18	0.28	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.43	12.45	-17.33	2	8	0	81	527.669	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Chembo Pharma

  • KB-310818

• MedChem Express

  • HY-18227

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	24	0.28	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	216	0.25	Binding ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic	Eukaryotes	25	0.28	Binding ≤ 10μM
Z80166-4-O	HT-29 (Colon Adenocarcinoma Cells) (cluster #4 Of 12), Other	Other	920	0.22	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.51	15.61	-52.14	2	6	1	64	516.547	7	↓ MOL2 SDF SMILES Flexibase

Analogs

38461223

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK627350

• Acorn PharmaTech

  • ACN-S001721

• Active BioPharma

  • 222

• AK Scientific

  • Q812
  • V0124

And 59 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ABL1-1-E	Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic	Eukaryotes	226	0.29	Binding ≤ 10μM
ABL2-1-E	Tyrosine-protein Kinase ABL2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2900	0.24	Binding ≤ 10μM
AURKA-1-E	Serine/threonine-protein Kinase Aurora-A (cluster #1 Of 3), Eukaryotic	Eukaryotes	3800	0.24	Binding ≤ 10μM
AURKB-1-E	Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic	Eukaryotes	440	0.28	Binding ≤ 10μM
AURKC-1-E	Serine/threonine-protein Kinase Aurora-C (cluster #1 Of 2), Eukaryotic	Eukaryotes	210	0.29	Binding ≤ 10μM
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	76	0.31	Binding ≤ 10μM
CDK14-1-E	Serine/threonine-protein Kinase PFTAIRE-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2900	0.24	Binding ≤ 10μM
CDK15-1-E	Serine/threonine-protein Kinase PFTAIRE-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2900	0.24	Binding ≤ 10μM
CDK17-1-E	Serine/threonine-protein Kinase PCTAIRE-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1600	0.25	Binding ≤ 10μM
CDK19-1-E	Cell Division Cycle 2-like Protein Kinase 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	250	0.29	Binding ≤ 10μM
CDK5-1-E	Cyclin-dependent Kinase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6200	0.23	Binding ≤ 10μM
CDK7-1-E	Cyclin-dependent Kinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	140	0.30	Binding ≤ 10μM
CDK8-1-E	Cell Division Protein Kinase 8 (cluster #1 Of 1), Eukaryotic	Eukaryotes	310	0.28	Binding ≤ 10μM
CDKL2-1-E	Cyclin-dependent Kinase-like 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	130	0.30	Binding ≤ 10μM
CDKL3-1-E	Cyclin-dependent Kinase-like 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	490	0.28	Binding ≤ 10μM
CSF1R-1-E	Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	58	0.32	Binding ≤ 10μM
CSK-1-E	Tyrosine-protein Kinase CSK (cluster #1 Of 1), Eukaryotic	Eukaryotes	2900	0.24	Binding ≤ 10μM
CTRO-1-E	Citron Rho-interacting Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	6200	0.23	Binding ≤ 10μM
DDR1-1-E	Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.38	Binding ≤ 10μM
DDR2-1-E	Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.36	Binding ≤ 10μM
EPHA1-1-E	Ephrin Type-A Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3100	0.24	Binding ≤ 10μM
EPHA2-1-E	Ephrin Type-A Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4800	0.23	Binding ≤ 10μM
EPHA3-1-E	Ephrin Type-A Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	6400	0.23	Binding ≤ 10μM
EPHA4-1-E	Ephrin Type-A Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.24	Binding ≤ 10μM
EPHA5-1-E	Ephrin Type-A Receptor 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	360	0.28	Binding ≤ 10μM
EPHA6-1-E	Ephrin Type-A Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	370	0.28	Binding ≤ 10μM
EPHA7-1-E	Ephrin Type-A Receptor 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	670	0.27	Binding ≤ 10μM
EPHA8-1-E	Ephrin Type-A Receptor 8 (cluster #1 Of 1), Eukaryotic	Eukaryotes	960	0.26	Binding ≤ 10μM
EPHB1-1-E	Ephrin Type-B Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.24	Binding ≤ 10μM
EPHB2-1-E	Ephrin Type-B Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.25	Binding ≤ 10μM
EPHB4-1-E	Ephrin Type-B Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3900	0.24	Binding ≤ 10μM
EPHB6-1-E	Ephrin Type-B Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	240	0.29	Binding ≤ 10μM
FGFR1-1-E	Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	580	0.27	Binding ≤ 10μM
FGFR2-1-E	Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2700	0.24	Binding ≤ 10μM
FGFR3-1-E	Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5900	0.23	Binding ≤ 10μM
FLT3-1-E	Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	82	0.31	Binding ≤ 10μM
FRK-1-E	Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	510	0.28	Binding ≤ 10μM
HCK-1-E	Tyrosine-protein Kinase HCK (cluster #1 Of 1), Eukaryotic	Eukaryotes	530	0.27	Binding ≤ 10μM
HIPK1-1-E	Homeodomain-interacting Protein Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1100	0.26	Binding ≤ 10μM
HIPK2-1-E	Homeodomain-interacting Protein Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1700	0.25	Binding ≤ 10μM
HIPK3-1-E	Homeodomain-interacting Protein Kinase 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	390	0.28	Binding ≤ 10μM
HIPK4-1-E	Homeodomain-interacting Protein Kinase 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.37	Binding ≤ 10μM
INSR-1-E	Insulin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	5300	0.23	Binding ≤ 10μM
KC1A-1-E	Casein Kinase I Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	250	0.29	Binding ≤ 10μM
KIT-1-E	Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	740	0.27	Binding ≤ 10μM
KS6A6-1-E	Ribosomal Protein S6 Kinase Alpha 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7500	0.22	Binding ≤ 10μM
LCK-1-E	Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic	Eukaryotes	6900	0.23	Binding ≤ 10μM
LIMK1-1-E	LIM Domain Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2200	0.25	Binding ≤ 10μM
LYN-1-E	Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.24	Binding ≤ 10μM
M3K7-1-E	Mitogen-activated Protein Kinase Kinase Kinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	690	0.27	Binding ≤ 10μM
M4K4-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4800	0.23	Binding ≤ 10μM
M4K5-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1700	0.25	Binding ≤ 10μM
MERTK-1-E	Proto-oncogene Tyrosine-protein Kinase MER (cluster #1 Of 1), Eukaryotic	Eukaryotes	3600	0.24	Binding ≤ 10μM
MK09-1-E	C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3600	0.24	Binding ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	230	0.29	Binding ≤ 10μM
MK12-1-E	MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	9900	0.22	Binding ≤ 10μM
MK13-1-E	MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	6600	0.23	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	85	0.31	Binding ≤ 10μM
MK15-1-E	Mitogen-activated Protein Kinase 15 (cluster #1 Of 1), Eukaryotic	Eukaryotes	46	0.32	Binding ≤ 10μM
MKNK1-1-E	MAP Kinase-interacting Serine/threonine-protein Kinase MNK1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	230	0.29	Binding ≤ 10μM
MKNK2-1-E	MAP Kinase Signal-integrating Kinase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	250	0.29	Binding ≤ 10μM
MLTK-1-E	Mixed Lineage Kinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.36	Binding ≤ 10μM
MUSK-1-E	Muscle, Skeletal Receptor Tyrosine Protein Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	130	0.30	Binding ≤ 10μM
MYLK2-1-E	Myosin Light Chain Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.26	Binding ≤ 10μM
NLK-1-E	Serine/threonine Protein Kinase NLK (cluster #1 Of 1), Eukaryotic	Eukaryotes	640	0.27	Binding ≤ 10μM
NTRK1-1-E	Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic	Eukaryotes	6300	0.23	Binding ≤ 10μM
NTRK2-1-E	Neurotrophic Tyrosine Kinase Receptor Type 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2100	0.25	Binding ≤ 10μM
NTRK3-1-E	NT-3 Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	600	0.27	Binding ≤ 10μM
PGFRA-1-E	Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	62	0.32	Binding ≤ 10μM
PGFRB-1-E	Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	57	0.32	Binding ≤ 10μM
PLK4-1-E	Serine/threonine-protein Kinase PLK4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4500	0.23	Binding ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.36	Binding ≤ 10μM
RET-1-E	Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.35	Binding ≤ 10μM
RIPK2-1-E	Serine/threonine-protein Kinase RIPK2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3600	0.24	Binding ≤ 10μM
SLK-1-E	Serine/threonine-protein Kinase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1600	0.25	Binding ≤ 10μM
SRC-1-E	Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic	Eukaryotes	390	0.28	Binding ≤ 10μM
SRMS-1-E	Tyrosine-protein Kinase Srms (cluster #1 Of 1), Eukaryotic	Eukaryotes	9800	0.22	Binding ≤ 10μM
STK10-1-E	Serine/threonine-protein Kinase 10 (cluster #1 Of 1), Eukaryotic	Eukaryotes	150	0.30	Binding ≤ 10μM
STK33-1-E	Serine/threonine-protein Kinase 33 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2400	0.25	Binding ≤ 10μM
STK36-1-E	Serine/threonine-protein Kinase 36 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5400	0.23	Binding ≤ 10μM
TAOK1-1-E	Serine/threonine-protein Kinase TAO1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	540	0.27	Binding ≤ 10μM
TAOK3-1-E	Serine/threonine-protein Kinase TAO3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2700	0.24	Binding ≤ 10μM
TIE1-1-E	Tyrosine-protein Kinase Receptor Tie-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	68	0.31	Binding ≤ 10μM
TIE2-1-E	Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3000	0.24	Binding ≤ 10μM
TNI3K-1-E	Serine/threonine-protein Kinase TNNI3K (cluster #1 Of 1), Eukaryotic	Eukaryotes	280	0.29	Binding ≤ 10μM
TNK1-1-E	Non-receptor Tyrosine-protein Kinase TNK1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2300	0.25	Binding ≤ 10μM
TTK-1-E	Dual Specificity Protein Kinase TTK (cluster #1 Of 2), Eukaryotic	Eukaryotes	3500	0.24	Binding ≤ 10μM
UFO-1-E	Tyrosine-protein Kinase Receptor UFO (cluster #1 Of 1), Eukaryotic	Eukaryotes	4500	0.23	Binding ≤ 10μM
VGFR1-1-E	Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	31	0.33	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	93	0.31	Binding ≤ 10μM
VGFR3-1-E	Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	95	0.31	Binding ≤ 10μM
YSK4-1-E	SPS1/STE20-related Protein Kinase YSK4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	99	0.31	Binding ≤ 10μM
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	6100	0.23	Functional ≤ 10μM
MP2K1-2-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3300	0.24	Functional ≤ 10μM
RAF1-2-E	Serine/threonine-protein Kinase RAF (cluster #2 Of 2), Eukaryotic	Eukaryotes	3300	0.24	Functional ≤ 10μM
Z100405-1-O	MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other	Other	15	0.34	Functional ≤ 10μM
Z103203-1-O	A375 (cluster #1 Of 3), Other	Other	5600	0.23	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	509	0.28	Functional ≤ 10μM
Z80224-1-O	MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other	Other	8830	0.22	Functional ≤ 10μM
Z80485-1-O	SK-MEL-28 (Melanoma Cells) (cluster #1 Of 6), Other	Other	1300	0.26	Functional ≤ 10μM
Z80548-1-O	THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other	Other	310	0.28	Functional ≤ 10μM
Z80682-1-O	A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other	Other	5210	0.23	Functional ≤ 10μM
Z81057-1-O	HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other	Other	1	0.39	Functional ≤ 10μM
Z81252-3-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other	Other	7620	0.22	Functional ≤ 10μM
Z100091-1-O	HS27 (Fibroblast Cells) (cluster #1 Of 1), Other	Other	7850	0.22	ADME/T ≤ 10μM
Z103203-1-O	A375 (cluster #1 Of 1), Other	Other	2200	0.25	ADME/T ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.76	6.55	-16.07	3	7	0	92	464.831	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Active BioPharma

  • 311

• AK Scientific

  • S104
  • Z1754

• Anward

  • ANW-43935

• Apexmol Building Blocks

  • AM20080877

And 35 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ABL1-1-E	Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic	Eukaryotes	590	0.26	Binding ≤ 10μM
ABL2-1-E	Tyrosine-protein Kinase ABL2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
ACK1-1-E	Tyrosine Kinase Non-receptor Protein 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.35	Binding ≤ 10μM
ACV1B-1-E	Activin Receptor Type-1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	330	0.27	Binding ≤ 10μM
ACVL1-1-E	Serine/threonine-protein Kinase Receptor R3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	460	0.27	Binding ≤ 10μM
ACVR1-1-E	Activin Receptor Type-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	620	0.26	Binding ≤ 10μM
ADCK3-1-E	Chaperone Activity Of Bc1 Complex-like, Mitochondrial (cluster #1 Of 1), Eukaryotic	Eukaryotes	190	0.29	Binding ≤ 10μM
AURKB-1-E	Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic	Eukaryotes	6485	0.22	Binding ≤ 10μM
AVR2A-1-E	Activin Receptor Type-2A (cluster #1 Of 1), Eukaryotic	Eukaryotes	210	0.28	Binding ≤ 10μM
AVR2B-1-E	Activin Receptor Type-2B (cluster #1 Of 1), Eukaryotic	Eukaryotes	570	0.26	Binding ≤ 10μM
BCR-1-E	Breakpoint Cluster Region Protein (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
BLK-1-E	Tyrosine-protein Kinase BLK (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
BMX-1-E	Tyrosine-protein Kinase BMX (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	570	0.26	Binding ≤ 10μM
BTK-1-E	Tyrosine-protein Kinase BTK (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.35	Binding ≤ 10μM
CSF1R-1-E	Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.35	Binding ≤ 10μM
CSK-1-E	Tyrosine-protein Kinase CSK (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
DDR1-1-E	Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
DDR2-1-E	Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.36	Binding ≤ 10μM
DMPK-1-E	Myotonin-protein Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.25	Binding ≤ 10μM
E2AK4-1-E	Eukaryotic Translation Initiation Factor 2-alpha Kinase 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1600	0.25	Binding ≤ 10μM
EGFR-1-E	Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	79	0.30	Binding ≤ 10μM
EPHA1-1-E	Ephrin Type-A Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.36	Binding ≤ 10μM
EPHA2-1-E	Ephrin Type-A Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	137	0.29	Binding ≤ 10μM
EPHA3-1-E	Ephrin Type-A Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
EPHA4-1-E	Ephrin Type-A Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
EPHA5-1-E	Ephrin Type-A Receptor 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
EPHA8-1-E	Ephrin Type-A Receptor 8 (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
EPHB1-1-E	Ephrin Type-B Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
EPHB2-1-E	Ephrin Type-B Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.36	Binding ≤ 10μM
EPHB3-1-E	Ephrin Type-B Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.35	Binding ≤ 10μM
EPHB4-1-E	Ephrin Type-B Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
ERBB2-2-E	Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	710	0.26	Binding ≤ 10μM
FGFR1-1-E	Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	880	0.26	Binding ≤ 10μM
FGFR2-1-E	Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1400	0.25	Binding ≤ 10μM
FGR-1-E	Tyrosine-protein Kinase FGR (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
FLT3-1-E	Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8100	0.22	Binding ≤ 10μM
FRK-1-E	Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
FYN-1-E	Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
GAK-1-E	Serine/threonine-protein Kinase GAK (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.36	Binding ≤ 10μM
HCK-1-E	Tyrosine-protein Kinase HCK (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
JAK2-1-E	Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	0.25	Binding ≤ 10μM
KC1A-1-E	Casein Kinase I Alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
KC1E-1-E	Casein Kinase I Epsilon (cluster #1 Of 2), Eukaryotic	Eukaryotes	1500	0.25	Binding ≤ 10μM
KIT-1-E	Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	93	0.30	Binding ≤ 10μM
KSYK-1-E	Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic	Eukaryotes	2900	0.23	Binding ≤ 10μM
LCK-1-E	Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
LIMK1-1-E	LIM Domain Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	570	0.26	Binding ≤ 10μM
LIMK2-1-E	LIM Domain Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	86	0.30	Binding ≤ 10μM
LYN-1-E	Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
M3K4-1-E	Mitogen-activated Protein Kinase Kinase Kinase 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	310	0.28	Binding ≤ 10μM
M4K1-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	980	0.25	Binding ≤ 10μM
M4K3-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	640	0.26	Binding ≤ 10μM
M4K4-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3100	0.23	Binding ≤ 10μM
M4K5-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	45	0.31	Binding ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	410	0.27	Binding ≤ 10μM
MK12-1-E	MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	100	0.30	Binding ≤ 10μM
MK13-1-E	MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	100	0.30	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	495	0.27	Binding ≤ 10μM
MLTK-1-E	Mixed Lineage Kinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	45	0.31	Binding ≤ 10μM
MP2K1-1-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	1700	0.24	Binding ≤ 10μM
MP2K2-1-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1700	0.24	Binding ≤ 10μM
MRCKA-1-E	Serine/threonine-protein Kinase MRCK-A (cluster #1 Of 1), Eukaryotic	Eukaryotes	2000	0.24	Binding ≤ 10μM
MRCKB-1-E	Serine/threonine-protein Kinase MRCK Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	2100	0.24	Binding ≤ 10μM
MRCKG-1-E	Serine/threonine-protein Kinase MRCK Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	0.25	Binding ≤ 10μM
MST4-1-E	Serine/threonine-protein Kinase MST4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.24	Binding ≤ 10μM
NLK-1-E	Serine/threonine Protein Kinase NLK (cluster #1 Of 1), Eukaryotic	Eukaryotes	260	0.28	Binding ≤ 10μM
PGFRA-1-E	Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	63	0.31	Binding ≤ 10μM
PGFRB-1-E	Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	28	0.32	Binding ≤ 10μM
PMYT1-1-E	Tyrosine- And Threonine-specific Cdc2-inhibitory Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	130	0.29	Binding ≤ 10μM
PTK6-1-E	Tyrosine-protein Kinase BRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.34	Binding ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic	Eukaryotes	570	0.26	Binding ≤ 10μM
RET-1-E	Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic	Eukaryotes	730	0.26	Binding ≤ 10μM
RIPK2-1-E	Serine/threonine-protein Kinase RIPK2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	31	0.32	Binding ≤ 10μM
SIK1-1-E	Serine/threonine-protein Kinase SIK1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.36	Binding ≤ 10μM
SIK2-1-E	Serine/threonine-protein Kinase SIK2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.35	Binding ≤ 10μM
SLK-1-E	Serine/threonine-protein Kinase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	720	0.26	Binding ≤ 10μM
SRC-1-E	Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic	Eukaryotes	14	0.33	Binding ≤ 10μM
SRMS-1-E	Tyrosine-protein Kinase Srms (cluster #1 Of 1), Eukaryotic	Eukaryotes	13	0.33	Binding ≤ 10μM
STK10-1-E	Serine/threonine-protein Kinase 10 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	0.25	Binding ≤ 10μM
STK36-1-E	Serine/threonine-protein Kinase 36 (cluster #1 Of 1), Eukaryotic	Eukaryotes	210	0.28	Binding ≤ 10μM
TBA1A-1-E	Tubulin Alpha-3 Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	55	0.31	Binding ≤ 10μM
TEC-1-E	Tyrosine-protein Kinase TEC (cluster #1 Of 1), Eukaryotic	Eukaryotes	297	0.28	Binding ≤ 10μM
TESK1-1-E	Dual Specificity Testis-specific Protein Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	33	0.32	Binding ≤ 10μM
TGFR1-1-E	TGF-beta Receptor Type I (cluster #1 Of 1), Eukaryotic	Eukaryotes	230	0.28	Binding ≤ 10μM
TGFR2-1-E	TGF-beta Receptor Type II (cluster #1 Of 1), Eukaryotic	Eukaryotes	2900	0.23	Binding ≤ 10μM
TNI3K-1-E	Serine/threonine-protein Kinase TNNI3K (cluster #1 Of 1), Eukaryotic	Eukaryotes	11	0.34	Binding ≤ 10μM
TNIK-1-E	TRAF2- And NCK-interacting Kinase (cluster #1 Of 2), Eukaryotic	Eukaryotes	2000	0.24	Binding ≤ 10μM
TXK-1-E	Tyrosine-protein Kinase TXK (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.37	Binding ≤ 10μM
VGFR1-1-E	Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5000	0.22	Binding ≤ 10μM
VGFR2-2-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2360	0.24	Binding ≤ 10μM
WEE1-1-E	Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.22	Binding ≤ 10μM
YES-1-E	Tyrosine-protein Kinase YES (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.38	Binding ≤ 10μM
Z80186-1-O	K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other	Other	1	0.38	Functional ≤ 10μM
Z80390-1-O	PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other	Other	9	0.34	Functional ≤ 10μM
Z81017-1-O	WiDr (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other	Other	52	0.31	Functional ≤ 10μM
Z81252-3-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other	Other	12	0.34	Functional ≤ 10μM
Z81338-1-O	T-cells (cluster #1 Of 3), Other	Other	3	0.36	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	7.33	-37.83	4	9	1	108	489.025	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.13	7.4	-39.94	4	9	1	108	489.025	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.13	7.04	-18.14	3	9	0	107	488.017	7	↓ MOL2 SDF SMILES Flexibase

Analogs

13126122

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Vendors

• Vitas-M

  • STL149193

• eMolecules

  • 46556678
  • 1460252

• Molport

  • MolPort-001-999-398

• ChemBridge

  • 7269469

And 3 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	2100	0.29	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	6.17	-45.17	4	6	0	101	356.385	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.86	5.03	-16.81	4	6	0	101	356.385	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.86	5.13	-36.55	5	6	1	102	357.393	4	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Chembo Pharma

  • KB-74930

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ABL1-1-E	Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.32	Binding ≤ 10μM
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	5	0.30	Binding ≤ 10μM
DDR2-1-E	Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.31	Binding ≤ 10μM
EGFR-1-E	Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4900	0.19	Binding ≤ 10μM
EPHA2-1-E	Ephrin Type-A Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	18	0.28	Binding ≤ 10μM
LCK-1-E	Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic	Eukaryotes	610	0.22	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	91	0.25	Binding ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic	Eukaryotes	50	0.26	Binding ≤ 10μM
RET-1-E	Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.31	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	59	0.26	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.51	12.48	-49.9	3	7	1	85	539.578	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.51	10.01	-13.63	2	7	0	84	538.57	7	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Chembo Pharma

  • KB-74922

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ABL1-1-E	Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.32	Binding ≤ 10μM
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.30	Binding ≤ 10μM
DDR2-1-E	Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7	0.29	Binding ≤ 10μM
EGFR-1-E	Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	190	0.24	Binding ≤ 10μM
EPHA2-1-E	Ephrin Type-A Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	11	0.29	Binding ≤ 10μM
LCK-1-E	Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic	Eukaryotes	170	0.24	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	42	0.26	Binding ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic	Eukaryotes	60	0.26	Binding ≤ 10μM
RET-1-E	Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.32	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.30	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.89	9.8	-56.35	5	7	1	108	539.578	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.89	9.58	-13.21	4	7	0	106	538.57	6	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Vitas-M

  • STK627347

• eMolecules

  • 13582607
  • 30380590

• Molport

  • MolPort-000-850-881
  • MolPort-005-912-705

And 5 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	700	0.39	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	-2.55	-13.55	4	8	0	118	298.306	5	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Molport

  • MolPort-009-019-315

• Active BioPharma

  • 1888

• AK Scientific

  • X7462

• Cayman Chemical

  • 10010367

• Chembo Pharma

  • KB-81571

And 8 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	230	0.32	Binding ≤ 10μM
LCK-3-E	Tyrosine-protein Kinase LCK (cluster #3 Of 4), Eukaryotic	Eukaryotes	570	0.30	Binding ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	2000	0.28	Binding ≤ 10μM
MK14-2-E	MAP Kinase P38 Alpha (cluster #2 Of 3), Eukaryotic	Eukaryotes	2000	0.28	Binding ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic	Eukaryotes	70	0.35	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.69	6.96	-15.54	3	6	0	82	389.455	5	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• eMolecules

  • 2164695

• Molport

  • MolPort-001-683-789

• Alinda

  • IBS-L0113526

• Mcule

  • MCULE-2870096678

• Otava

  • 1096902

And 2 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.38	Binding ≤ 10μM
M3K8-1-E	Mitogen-activated Protein Kinase Kinase Kinase 8 (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.38	Binding ≤ 10μM
MP2K1-3-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 1 (cluster #3 Of 4), Eukaryotic	Eukaryotes	200	0.38	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.47	4.47	-15.47	0	4	0	56	334.371	5	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Active BioPharma

  • 94

• AK Scientific

  • SYN1073

• Apollo Scientific Bioactives

  • BIS4321

• Chembo Pharma

  • KB-80489

• Lab Seeker Building Blocks

  • SC-27980

And 7 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACV1B-1-E	Activin Receptor Type-1B (cluster #1 Of 1), Eukaryotic	Eukaryotes	950	0.34	Binding ≤ 10μM
ADCK4-1-E	Uncharacterized AarF Domain-containing Protein Kinase 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4900	0.30	Binding ≤ 10μM
AVR2B-1-E	Activin Receptor Type-2B (cluster #1 Of 1), Eukaryotic	Eukaryotes	4800	0.30	Binding ≤ 10μM
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	620	0.35	Binding ≤ 10μM
CTRO-1-E	Citron Rho-interacting Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	510	0.35	Binding ≤ 10μM
DDR1-1-E	Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1100	0.33	Binding ≤ 10μM
DDR2-1-E	Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1600	0.32	Binding ≤ 10μM
EGFR-1-E	Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	910	0.34	Binding ≤ 10μM
EPHA6-1-E	Ephrin Type-A Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2200	0.32	Binding ≤ 10μM
FRK-1-E	Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	6000	0.29	Binding ≤ 10μM
GAK-1-E	Serine/threonine-protein Kinase GAK (cluster #1 Of 2), Eukaryotic	Eukaryotes	650	0.35	Binding ≤ 10μM
GSK3B-1-E	Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic	Eukaryotes	2700	0.31	Binding ≤ 10μM
KAPCA-1-E	CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	1700	0.32	Binding ≤ 10μM
KAPCB-1-E	CAMP-dependent Protein Kinase Beta-1 Catalytic Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	530	0.35	Binding ≤ 10μM
KC1AL-1-E	Casein Kinase I Isoform Alpha-like (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.32	Binding ≤ 10μM
KC1D-1-E	Casein Kinase I Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	59	0.40	Binding ≤ 10μM
KC1E-1-E	Casein Kinase I Epsilon (cluster #1 Of 2), Eukaryotic	Eukaryotes	400	0.36	Binding ≤ 10μM
KS6A1-1-E	Ribosomal Protein S6 Kinase Alpha 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	170	0.38	Binding ≤ 10μM
KS6A6-1-E	Ribosomal Protein S6 Kinase Alpha 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	270	0.37	Binding ≤ 10μM
LATS2-1-E	Serine/threonine-protein Kinase LATS2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1700	0.32	Binding ≤ 10μM
MK08-1-E	Mitogen-activated Protein Kinase 8 (cluster #1 Of 5), Eukaryotic	Eukaryotes	3100	0.31	Binding ≤ 10μM
MK09-1-E	C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	210	0.37	Binding ≤ 10μM
MK10-2-E	C-Jun N-terminal Kinase 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	51	0.41	Binding ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	80	0.40	Binding ≤ 10μM
MK12-1-E	MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	9400	0.28	Binding ≤ 10μM
MK13-1-E	MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	80	0.40	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	10	0.45	Binding ≤ 10μM
MP2K2-1-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	9600	0.28	Binding ≤ 10μM
MRCKB-1-E	Serine/threonine-protein Kinase MRCK Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	4200	0.30	Binding ≤ 10μM
MRCKG-1-E	Serine/threonine-protein Kinase MRCK Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	640	0.35	Binding ≤ 10μM
NLK-1-E	Serine/threonine Protein Kinase NLK (cluster #1 Of 1), Eukaryotic	Eukaryotes	28	0.42	Binding ≤ 10μM
PTK6-1-E	Tyrosine-protein Kinase BRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	6800	0.29	Binding ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.32	Binding ≤ 10μM
RIPK2-1-E	Serine/threonine-protein Kinase RIPK2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	350	0.36	Binding ≤ 10μM
SLK-1-E	Serine/threonine-protein Kinase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3200	0.31	Binding ≤ 10μM
ST32B-1-E	Serine/threonine-protein Kinase 32B (cluster #1 Of 1), Eukaryotic	Eukaryotes	4900	0.30	Binding ≤ 10μM
STK36-1-E	Serine/threonine-protein Kinase 36 (cluster #1 Of 1), Eukaryotic	Eukaryotes	790	0.34	Binding ≤ 10μM
TBA1A-1-E	Tubulin Alpha-3 Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	4900	0.30	Binding ≤ 10μM
TNIK-1-E	TRAF2- And NCK-interacting Kinase (cluster #1 Of 2), Eukaryotic	Eukaryotes	1600	0.32	Binding ≤ 10μM
TTK-1-E	Dual Specificity Protein Kinase TTK (cluster #1 Of 2), Eukaryotic	Eukaryotes	4500	0.30	Binding ≤ 10μM
LOX5-1-E	Arachidonate 5-lipoxygenase (cluster #1 Of 7), Eukaryotic	Eukaryotes	50	0.41	Functional ≤ 10μM
Z100081-1-O	PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other	Other	50	0.41	Functional ≤ 10μM
Z102116-1-O	Toxoplasma Gondii RH (cluster #1 Of 2), Other	Other	5000	0.30	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	6310	0.29	Functional ≤ 10μM
Z50472-1-O	Toxoplasma Gondii (cluster #1 Of 4), Other	Other	1000	0.34	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	8.78	-41.1	2	4	0	62	331.35	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.59	9.26	-92.55	3	4	1	63	332.358	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.78	7.25	-9.85	2	4	0	62	331.35	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Active BioPharma

  • 2671

• AK Scientific

  • Z4580

• Ark Pharm Building Blocks

  • AK-34600

• Bide Pharmatech BB

  • BD159843

• Chembo Pharma

  • KB-163550

And 4 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.49	Binding ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.50	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.49	7.85	-9.32	2	4	0	62	347.805	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	4.49	7.84	-9.51	2	4	0	62	347.805	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.49	8.49	-42.73	1	4	-1	65	346.797	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Chembo Pharma

  • KB-80253

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	540	0.22	Binding ≤ 10μM
BTK-1-E	Tyrosine-protein Kinase BTK (cluster #1 Of 1), Eukaryotic	Eukaryotes	410	0.22	Binding ≤ 10μM
JAK3-2-E	Tyrosine-protein Kinase JAK3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	150	0.24	Binding ≤ 10μM
KIT-1-E	Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	560	0.22	Binding ≤ 10μM
KSYK-1-E	Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic	Eukaryotes	200	0.23	Binding ≤ 10μM
LCK-1-E	Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	0.29	Binding ≤ 10μM
LYN-1-E	Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic	Eukaryotes	21	0.27	Binding ≤ 10μM
MK10-1-E	C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7300	0.18	Binding ≤ 10μM
SRC-1-E	Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic	Eukaryotes	120	0.24	Binding ≤ 10μM
TIE2-1-E	Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	750	0.21	Binding ≤ 10μM
TYK2-1-E	Tyrosine-protein Kinase TYK2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	0.21	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	5100	0.19	Binding ≤ 10μM
ZAP70-1-E	Tyrosine-protein Kinase ZAP-70 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1500	0.20	Binding ≤ 10μM
Z81072-1-O	Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other	Other	490	0.22	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.12	20.42	-49	2	9	1	85	531.644	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.12	18.06	-13.32	1	9	0	84	530.636	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.12	21.17	-124.39	3	9	2	86	532.652	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK046762

• eMolecules

  • 1242692

• Molport

  • MolPort-001-938-588

• Asinex

  • BAS00552965

• IBScreen

  • STOCK1S-25764

And 12 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	2100	0.38	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.22	3.38	-90.99	0	6	-2	82	320.761	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.31	7.08	-10.91	2	6	0	76	322.777	2	↓ MOL2 SDF SMILES Flexibase

Analogs

725556

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK834375

• eMolecules

  • 1216560

• Molport

  • MolPort-001-931-424

• Asinex

  • BAS00411680

• IBScreen

  • STOCK1S-24028

And 7 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	1720	0.27	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.54	-2	-10.58	1	7	0	82	422.51	7	↓ MOL2 SDF SMILES Flexibase

Analogs

5220290

17161175

Draw Identity 99% 90% 80% 70%

Vendors

• Aldrich CPR

  • R666580|ALDRICH

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	4600	0.23	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.66	12.63	-15.62	2	11	0	143	433.428	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.12	10.08	-57.86	1	11	-1	146	432.42	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Acorn PharmaTech

  • ACN-S001718

• Active BioPharma

  • 386

• AK Scientific

  • X3177

• Apexmol Building Blocks

  • AM20090655

• APIChem

  • AC-8522

And 24 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AAK1-1-E	Adaptor-associated Kinase (cluster #1 Of 2), Eukaryotic	Eukaryotes	2900	0.25	Binding ≤ 10μM
ABL1-1-E	Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic	Eukaryotes	3400	0.25	Binding ≤ 10μM
ABL2-1-E	Tyrosine-protein Kinase ABL2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.25	Binding ≤ 10μM
ALK-1-E	ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2200	0.26	Binding ≤ 10μM
AURKA-3-E	Serine/threonine-protein Kinase Aurora-A (cluster #3 Of 3), Eukaryotic	Eukaryotes	7100	0.23	Binding ≤ 10μM
AURKC-1-E	Serine/threonine-protein Kinase Aurora-C (cluster #1 Of 2), Eukaryotic	Eukaryotes	750	0.28	Binding ≤ 10μM
AVR2B-1-E	Activin Receptor Type-2B (cluster #1 Of 1), Eukaryotic	Eukaryotes	2400	0.25	Binding ≤ 10μM
BLK-1-E	Tyrosine-protein Kinase BLK (cluster #1 Of 1), Eukaryotic	Eukaryotes	2600	0.25	Binding ≤ 10μM
BMP2K-1-E	BMP-2-inducible Protein Kinase (cluster #1 Of 2), Eukaryotic	Eukaryotes	8800	0.23	Binding ≤ 10μM
BRAF-1-E	Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic	Eukaryotes	730	0.28	Binding ≤ 10μM
CD11A-1-E	PITSLRE Serine/threonine-protein Kinase CDC2L2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.27	Binding ≤ 10μM
CD11B-1-E	PITSLRE Serine/threonine-protein Kinase CDC2L1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2100	0.26	Binding ≤ 10μM
CDK16-1-E	Serine/threonine-protein Kinase PCTAIRE-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	0.27	Binding ≤ 10μM
CSF1R-1-E	Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.37	Binding ≤ 10μM
DDR1-1-E	Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	57	0.33	Binding ≤ 10μM
DDR2-1-E	Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	98	0.32	Binding ≤ 10μM
E2AK2-1-E	Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.26	Binding ≤ 10μM
FER-1-E	Tyrosine-protein Kinase FER (cluster #1 Of 1), Eukaryotic	Eukaryotes	2700	0.25	Binding ≤ 10μM
FGFR1-1-E	Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	990	0.27	Binding ≤ 10μM
FGFR2-1-E	Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	210	0.30	Binding ≤ 10μM
FGFR3-1-E	Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	740	0.28	Binding ≤ 10μM
FGFR4-1-E	Fibroblast Growth Factor Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2800	0.25	Binding ≤ 10μM
FGR-1-E	Tyrosine-protein Kinase FGR (cluster #1 Of 2), Eukaryotic	Eukaryotes	1600	0.26	Binding ≤ 10μM
FLT3-1-E	Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	810	0.28	Binding ≤ 10μM
FRK-1-E	Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	750	0.28	Binding ≤ 10μM
FYN-1-E	Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic	Eukaryotes	2700	0.25	Binding ≤ 10μM
GAK-1-E	Serine/threonine-protein Kinase GAK (cluster #1 Of 2), Eukaryotic	Eukaryotes	200	0.30	Binding ≤ 10μM
IRAK3-1-E	Interleukin-1 Receptor-associated Kinase 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	800	0.28	Binding ≤ 10μM
JAK3-1-E	Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	6900	0.23	Binding ≤ 10μM
KCC1A-1-E	CaM Kinase I Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	2100	0.26	Binding ≤ 10μM
KCC1G-1-E	CaM Kinase I Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	3700	0.25	Binding ≤ 10μM
KIT-1-E	Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	74	0.32	Binding ≤ 10μM
LCK-1-E	Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic	Eukaryotes	1200	0.27	Binding ≤ 10μM
LIMK1-1-E	LIM Domain Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	720	0.28	Binding ≤ 10μM
LIMK2-1-E	LIM Domain Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	390	0.29	Binding ≤ 10μM
LYN-1-E	Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic	Eukaryotes	890	0.27	Binding ≤ 10μM
M3K10-1-E	Mitogen-activated Protein Kinase Kinase Kinase 10 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2100	0.26	Binding ≤ 10μM
M3K11-1-E	Mitogen-activated Protein Kinase Kinase Kinase 11 (cluster #1 Of 1), Eukaryotic	Eukaryotes	740	0.28	Binding ≤ 10μM
M3K9-1-E	Mitogen-activated Protein Kinase Kinase Kinase 9 (cluster #1 Of 1), Eukaryotic	Eukaryotes	290	0.30	Binding ≤ 10μM
M4K1-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	750	0.28	Binding ≤ 10μM
M4K3-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1600	0.26	Binding ≤ 10μM
M4K5-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.25	Binding ≤ 10μM
MARK3-1-E	Serine/threonine-protein Kinase C-TAK1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4000	0.24	Binding ≤ 10μM
MERTK-1-E	Proto-oncogene Tyrosine-protein Kinase MER (cluster #1 Of 1), Eukaryotic	Eukaryotes	3300	0.25	Binding ≤ 10μM
MK10-1-E	C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1900	0.26	Binding ≤ 10μM
MP2K4-1-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	590	0.28	Binding ≤ 10μM
MP2K6-1-E	Dual Specificity Mitogen-activated Protein Kinase Kinase 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4100	0.24	Binding ≤ 10μM
MYLK2-1-E	Myosin Light Chain Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2000	0.26	Binding ≤ 10μM
NEK2-1-E	Serine/threonine-protein Kinase NEK2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	980	0.27	Binding ≤ 10μM
NLK-1-E	Serine/threonine Protein Kinase NLK (cluster #1 Of 1), Eukaryotic	Eukaryotes	4400	0.24	Binding ≤ 10μM
PGFRA-1-E	Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	5	0.37	Binding ≤ 10μM
PGFRB-1-E	Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	84	0.32	Binding ≤ 10μM
PLK4-1-E	Serine/threonine-protein Kinase PLK4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	290	0.30	Binding ≤ 10μM
PTK6-1-E	Tyrosine-protein Kinase BRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	2300	0.25	Binding ≤ 10μM
RAF1-1-E	Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic	Eukaryotes	900	0.27	Binding ≤ 10μM
RET-1-E	Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic	Eukaryotes	310	0.29	Binding ≤ 10μM
RIPK1-1-E	Receptor-interacting Serine/threonine-protein Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	260	0.30	Binding ≤ 10μM
RIPK2-1-E	Serine/threonine-protein Kinase RIPK2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	580	0.28	Binding ≤ 10μM
ROS1-1-E	Proto-oncogene Tyrosine-protein Kinase ROS (cluster #1 Of 1), Eukaryotic	Eukaryotes	920	0.27	Binding ≤ 10μM
SIK1-1-E	Serine/threonine-protein Kinase SIK1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2200	0.26	Binding ≤ 10μM
SIK2-1-E	Serine/threonine-protein Kinase SIK2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7300	0.23	Binding ≤ 10μM
SRC-1-E	Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic	Eukaryotes	2800	0.25	Binding ≤ 10μM
SRMS-1-E	Tyrosine-protein Kinase Srms (cluster #1 Of 1), Eukaryotic	Eukaryotes	2500	0.25	Binding ≤ 10μM
STK10-1-E	Serine/threonine-protein Kinase 10 (cluster #1 Of 1), Eukaryotic	Eukaryotes	84	0.32	Binding ≤ 10μM
STK16-1-E	Serine/threonine-protein Kinase 16 (cluster #1 Of 1), Eukaryotic	Eukaryotes	360	0.29	Binding ≤ 10μM
STK36-1-E	Serine/threonine-protein Kinase 36 (cluster #1 Of 1), Eukaryotic	Eukaryotes	470	0.29	Binding ≤ 10μM
TIE1-1-E	Tyrosine-protein Kinase Receptor Tie-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	700	0.28	Binding ≤ 10μM
TNIK-1-E	TRAF2- And NCK-interacting Kinase (cluster #1 Of 2), Eukaryotic	Eukaryotes	310	0.29	Binding ≤ 10μM
TNK1-1-E	Non-receptor Tyrosine-protein Kinase TNK1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	980	0.27	Binding ≤ 10μM
TTK-1-E	Dual Specificity Protein Kinase TTK (cluster #1 Of 2), Eukaryotic	Eukaryotes	150	0.31	Binding ≤ 10μM
TXK-1-E	Tyrosine-protein Kinase TXK (cluster #1 Of 1), Eukaryotic	Eukaryotes	2600	0.25	Binding ≤ 10μM
VGFR1-1-E	Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	14	0.35	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	0.37	Binding ≤ 10μM
VGFR3-1-E	Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	47	0.33	Binding ≤ 10μM
YES-1-E	Tyrosine-protein Kinase YES (cluster #1 Of 1), Eukaryotic	Eukaryotes	5000	0.24	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.27	7.86	-49.62	4	9	1	120	438.537	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.44	10.13	-54	3	6	1	75	422.549	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.01	7.81	-31.7	3	9	0	122	437.529	4	↓ MOL2 SDF SMILES Flexibase