ZINC 12

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

4335977

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AAK1-2-E	Adaptor-associated Kinase (cluster #2 Of 2), Eukaryotic	Eukaryotes	35	0.61	Binding ≤ 10μM
AURKA-2-E	Serine/threonine-protein Kinase Aurora-A (cluster #2 Of 3), Eukaryotic	Eukaryotes	980	0.49	Binding ≤ 10μM
AURKC-2-E	Serine/threonine-protein Kinase Aurora-C (cluster #2 Of 2), Eukaryotic	Eukaryotes	5300	0.43	Binding ≤ 10μM
BMP2K-2-E	BMP-2-inducible Protein Kinase (cluster #2 Of 2), Eukaryotic	Eukaryotes	25	0.63	Binding ≤ 10μM
CDK16-1-E	Serine/threonine-protein Kinase PCTAIRE-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	180	0.56	Binding ≤ 10μM
CDK2-5-E	Cyclin-dependent Kinase 2 (cluster #5 Of 5), Eukaryotic	Eukaryotes	3200	0.45	Binding ≤ 10μM
CLK2-2-E	Dual Specificity Protein Kinase CLK2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	300	0.54	Binding ≤ 10μM
CLK4-2-E	Dual Specificity Protein Kinase CLK4 (cluster #2 Of 2), Eukaryotic	Eukaryotes	260	0.54	Binding ≤ 10μM
DAPK2-2-E	Death-associated Protein Kinase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	610	0.51	Binding ≤ 10μM
DAPK3-2-E	Death-associated Protein Kinase 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	410	0.53	Binding ≤ 10μM
E2AK2-1-E	Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	8000	0.42	Binding ≤ 10μM
EPHA3-2-E	Ephrin Type-A Receptor 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4000	0.44	Binding ≤ 10μM
GAK-2-E	Serine/threonine-protein Kinase GAK (cluster #2 Of 2), Eukaryotic	Eukaryotes	38	0.61	Binding ≤ 10μM
JAK3-2-E	Tyrosine-protein Kinase JAK3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	957	0.50	Binding ≤ 10μM
KC1E-2-E	Casein Kinase I Epsilon (cluster #2 Of 2), Eukaryotic	Eukaryotes	3100	0.45	Binding ≤ 10μM
KC1G1-2-E	Casein Kinase I Gamma 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3700	0.45	Binding ≤ 10μM
KCC1A-2-E	CaM Kinase I Alpha (cluster #2 Of 2), Eukaryotic	Eukaryotes	4100	0.44	Binding ≤ 10μM
KCC1D-2-E	CaM Kinase I Delta (cluster #2 Of 2), Eukaryotic	Eukaryotes	1400	0.48	Binding ≤ 10μM
KCC1G-2-E	CaM Kinase I Gamma (cluster #2 Of 2), Eukaryotic	Eukaryotes	4200	0.44	Binding ≤ 10μM
KKCC2-2-E	CaM-kinase Kinase Beta (cluster #2 Of 2), Eukaryotic	Eukaryotes	7500	0.42	Binding ≤ 10μM
KS6A2-2-E	Ribosomal Protein S6 Kinase Alpha 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2200	0.47	Binding ≤ 10μM
KS6A5-1-E	Ribosomal Protein S6 Kinase Alpha 5 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1700	0.48	Binding ≤ 10μM
MARK2-2-E	MAP/microtubule Affinity-regulating Kinase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1800	0.47	Binding ≤ 10μM
MK08-5-E	Mitogen-activated Protein Kinase 8 (cluster #5 Of 5), Eukaryotic	Eukaryotes	40	0.61	Binding ≤ 10μM
MK09-3-E	C-Jun N-terminal Kinase 2 (cluster #3 Of 3), Eukaryotic	Eukaryotes	84	0.58	Binding ≤ 10μM
MK10-2-E	C-Jun N-terminal Kinase 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	90	0.58	Binding ≤ 10μM
MK12-2-E	MAP Kinase P38 Gamma (cluster #2 Of 2), Eukaryotic	Eukaryotes	2400	0.46	Binding ≤ 10μM
MKNK2-2-E	MAP Kinase Signal-integrating Kinase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1000	0.49	Binding ≤ 10μM
PHKG2-2-E	Phosphorylase Kinase Gamma Subunit 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	480	0.52	Binding ≤ 10μM
PIM2-2-E	Serine/threonine-protein Kinase PIM2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	460	0.52	Binding ≤ 10μM
PLK4-1-E	Serine/threonine-protein Kinase PLK4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	770	0.50	Binding ≤ 10μM
SLK-2-E	Serine/threonine-protein Kinase 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2300	0.46	Binding ≤ 10μM
ST17A-2-E	Serine/threonine-protein Kinase 17A (cluster #2 Of 2), Eukaryotic	Eukaryotes	2100	0.47	Binding ≤ 10μM
ST38L-2-E	Serine/threonine-protein Kinase 38-like (cluster #2 Of 2), Eukaryotic	Eukaryotes	2300	0.46	Binding ≤ 10μM
STK16-1-E	Serine/threonine-protein Kinase 16 (cluster #1 Of 1), Eukaryotic	Eukaryotes	510	0.52	Binding ≤ 10μM
STK3-2-E	Serine/threonine-protein Kinase MST2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	220	0.55	Binding ≤ 10μM
STK4-2-E	Serine/threonine-protein Kinase MST1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2200	0.47	Binding ≤ 10μM
TNIK-2-E	TRAF2- And NCK-interacting Kinase (cluster #2 Of 2), Eukaryotic	Eukaryotes	480	0.52	Binding ≤ 10μM
TTK-2-E	Dual Specificity Protein Kinase TTK (cluster #2 Of 2), Eukaryotic	Eukaryotes	98	0.58	Binding ≤ 10μM
ULK3-2-E	Serine/threonine-protein Kinase ULK3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	680	0.51	Binding ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	7943	0.42	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	tPSA (Å²)	MWT Molecular weight (g/mol)	DL
Ref Reference (pH 7)	3.48	6.16	-10.65	1	3	46	220.231	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.49	4.15	-24.93	1	3	46	220.231	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.48	6.17	-10.96	1	3	46	220.231	↓ MOL2 SDF SMILES Flexibase

6718813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ABT-869 ABT-869

Find On: PubMed — Wikipedia — Google

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And 17 More

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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	1700	0.29	Binding ≤ 10μM
ALK-1-E	ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1600	0.29	Binding ≤ 10μM
AURKA-2-E	Serine/threonine-protein Kinase Aurora-A (cluster #2 Of 3), Eukaryotic	Eukaryotes	760	0.31	Binding ≤ 10μM
AURKB-1-E	Serine/threonine-protein Kinase Aurora-B (cluster #1 Of 2), Eukaryotic	Eukaryotes	390	0.32	Binding ≤ 10μM
AURKC-2-E	Serine/threonine-protein Kinase Aurora-C (cluster #2 Of 2), Eukaryotic	Eukaryotes	71	0.36	Binding ≤ 10μM
BMPR2-1-E	Bone Morphogenetic Protein Receptor Type-2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7800	0.26	Binding ≤ 10μM
CD11A-1-E	PITSLRE Serine/threonine-protein Kinase CDC2L2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	0.30	Binding ≤ 10μM
CD11B-1-E	PITSLRE Serine/threonine-protein Kinase CDC2L1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.29	Binding ≤ 10μM
CDK1-3-E	Cyclin-dependent Kinase 1 (cluster #3 Of 4), Eukaryotic	Eukaryotes	9800	0.25	Binding ≤ 10μM
CDK19-1-E	Cell Division Cycle 2-like Protein Kinase 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	74	0.36	Binding ≤ 10μM
CDK7-1-E	Cyclin-dependent Kinase 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2900	0.28	Binding ≤ 10μM
CDK8-1-E	Cell Division Protein Kinase 8 (cluster #1 Of 1), Eukaryotic	Eukaryotes	95	0.35	Binding ≤ 10μM
CDK9-1-E	Cyclin-dependent Kinase 9 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3000	0.28	Binding ≤ 10μM
CLK1-2-E	Dual Specificty Protein Kinase CLK1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	8900	0.25	Binding ≤ 10μM
CLK4-2-E	Dual Specificity Protein Kinase CLK4 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1600	0.29	Binding ≤ 10μM
CSF1R-1-E	Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.43	Binding ≤ 10μM
DDR1-1-E	Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	58	0.36	Binding ≤ 10μM
DDR2-1-E	Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3800	0.27	Binding ≤ 10μM
EGFR-1-E	Epidermal Growth Factor Receptor ErbB1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	6500	0.26	Binding ≤ 10μM
EPHA3-1-E	Ephrin Type-A Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3500	0.27	Binding ≤ 10μM
EPHA6-1-E	Ephrin Type-A Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	330	0.32	Binding ≤ 10μM
EPHB3-1-E	Ephrin Type-B Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1400	0.29	Binding ≤ 10μM
EPHB4-1-E	Ephrin Type-B Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1400	0.29	Binding ≤ 10μM
FLT3-1-E	Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.40	Binding ≤ 10μM
FRK-1-E	Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic	Eukaryotes	400	0.32	Binding ≤ 10μM
INSRR-1-E	Insulin Receptor-related Protein (cluster #1 Of 1), Eukaryotic	Eukaryotes	3900	0.27	Binding ≤ 10μM
KAPCA-1-E	CAMP-dependent Protein Kinase Alpha-catalytic Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	6900	0.26	Binding ≤ 10μM
KIT-1-E	Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	81	0.35	Binding ≤ 10μM
KS6A4-1-E	Ribosomal Protein S6 Kinase Alpha 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7200	0.26	Binding ≤ 10μM
KS6A5-1-E	Ribosomal Protein S6 Kinase Alpha 5 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1200	0.30	Binding ≤ 10μM
LATS2-1-E	Serine/threonine-protein Kinase LATS2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1700	0.29	Binding ≤ 10μM
LIMK2-1-E	LIM Domain Kinase 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4700	0.27	Binding ≤ 10μM
LTK-1-E	Leukocyte Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	550	0.31	Binding ≤ 10μM
M4K1-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	830	0.30	Binding ≤ 10μM
M4K3-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3200	0.27	Binding ≤ 10μM
M4K5-1-E	Mitogen-activated Protein Kinase Kinase Kinase Kinase 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	910	0.30	Binding ≤ 10μM
MERTK-1-E	Proto-oncogene Tyrosine-protein Kinase MER (cluster #1 Of 1), Eukaryotic	Eukaryotes	870	0.30	Binding ≤ 10μM
MET-1-E	Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.29	Binding ≤ 10μM
MK09-1-E	C-Jun N-terminal Kinase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	240	0.33	Binding ≤ 10μM
MK15-1-E	Mitogen-activated Protein Kinase 15 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2800	0.28	Binding ≤ 10μM
MKNK1-1-E	MAP Kinase-interacting Serine/threonine-protein Kinase MNK1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4900	0.27	Binding ≤ 10μM
MKNK2-1-E	MAP Kinase Signal-integrating Kinase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	270	0.33	Binding ≤ 10μM
MUSK-1-E	Muscle, Skeletal Receptor Tyrosine Protein Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	10	0.40	Binding ≤ 10μM
NTRK1-1-E	Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic	Eukaryotes	3100	0.28	Binding ≤ 10μM
NTRK2-1-E	Neurotrophic Tyrosine Kinase Receptor Type 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1100	0.30	Binding ≤ 10μM
NTRK3-1-E	NT-3 Growth Factor Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	210	0.33	Binding ≤ 10μM
PGFRA-1-E	Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	4	0.42	Binding ≤ 10μM
PGFRB-1-E	Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	66	0.36	Binding ≤ 10μM
PLK3-1-E	Serine/threonine-protein Kinase PLK3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8500	0.25	Binding ≤ 10μM
RET-1-E	Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.29	Binding ≤ 10μM
RIPK1-1-E	Receptor-interacting Serine/threonine-protein Kinase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2800	0.28	Binding ≤ 10μM
SLK-1-E	Serine/threonine-protein Kinase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	450	0.32	Binding ≤ 10μM
ST32B-1-E	Serine/threonine-protein Kinase 32B (cluster #1 Of 1), Eukaryotic	Eukaryotes	270	0.33	Binding ≤ 10μM
STK10-1-E	Serine/threonine-protein Kinase 10 (cluster #1 Of 1), Eukaryotic	Eukaryotes	460	0.32	Binding ≤ 10μM
STK3-1-E	Serine/threonine-protein Kinase MST2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1500	0.29	Binding ≤ 10μM
STK33-1-E	Serine/threonine-protein Kinase 33 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3800	0.27	Binding ≤ 10μM
STK4-2-E	Serine/threonine-protein Kinase MST1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1400	0.29	Binding ≤ 10μM
TIE1-1-E	Tyrosine-protein Kinase Receptor Tie-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	110	0.35	Binding ≤ 10μM
TIE2-1-E	Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	450	0.32	Binding ≤ 10μM
UFO-1-E	Tyrosine-protein Kinase Receptor UFO (cluster #1 Of 1), Eukaryotic	Eukaryotes	340	0.32	Binding ≤ 10μM
VGFR1-1-E	Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8	0.40	Binding ≤ 10μM
VGFR2-1-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	0.40	Binding ≤ 10μM
VGFR3-1-E	Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	190	0.34	Binding ≤ 10μM
VGFR2-2-E	Vascular Endothelial Growth Factor Receptor 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4	0.42	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)	4.73	7.88	-12.09	5	6	0	96	375.407	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = AURKC-2-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 'AURKC-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=AURKC-2-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "target.name": "AURKC-2-E",        
        "target.type": "B10"        

    });
</script>

ZINC 12

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Structural Results Found: (before additional filtering)

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