ZINC 12

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 (Å²)	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

3961852

Analogs

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Find On: PubMed — Wikipedia — Google

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Chembo Pharma
- KB-63694

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HSPB1-1-E	Heat Shock Protein Beta-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	53	0.39	Binding ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	24	0.41	Binding ≤ 10μM
MK14-2-E	MAP Kinase P38 Alpha (cluster #2 Of 3), Eukaryotic	Eukaryotes	9	0.43	Binding ≤ 10μM
CP2C9-1-E	Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic	Eukaryotes	4400	0.29	ADME/T ≤ 10μM
Z100081-4-O	PBMC (Peripheral Blood Mononuclear Cells) (cluster #4 Of 4), Other	Other	250	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.73	-1.95	-15.97	2	4	0	58	348.446	6	↓ MOL2 SDF SMILES Flexibase

1487129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: SB-242235 SB-242235

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HSPB1-1-E	Heat Shock Protein Beta-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	160	0.37	Binding ≤ 10μM
KPCA-5-E	Protein Kinase C Alpha (cluster #5 Of 6), Eukaryotic	Eukaryotes	83	0.38	Binding ≤ 10μM
KPCB-1-E	Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic	Eukaryotes	17	0.42	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	40	0.40	Binding ≤ 10μM
Z100081-1-O	PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other	Other	170	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.66	6.78	-63.27	2	6	1	69	354.409	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.66	7.23	-119.41	3	6	2	71	355.417	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = HSPB1-1-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'HSPB1-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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<div id="zinc-link"></div>
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    window.zinc.embed('zinc-link', {
        "target.name": "HSPB1-1-E",        
        "target.type": "B10"        

    });
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ZINC 12

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