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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

475678

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MK08-4-E	Mitogen-activated Protein Kinase 8 (cluster #4 Of 5), Eukaryotic	Eukaryotes	800	0.41	Binding ≤ 10μM
MK10-1-E	C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1000	0.40	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	6.2	-10.58	1	5	0	65	305.355	6	↓ MOL2 SDF SMILES Flexibase

6126201

Analogs

15606773
36720187
36720188
53137427
53145099

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MK08-4-E	Mitogen-activated Protein Kinase 8 (cluster #4 Of 5), Eukaryotic	Eukaryotes	700	0.45	Binding ≤ 10μM
MK10-1-E	C-Jun N-terminal Kinase 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2700	0.41	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	0.81	-9.52	1	4	0	55	275.329	5	↓ MOL2 SDF SMILES Flexibase

1055496

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And 4 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MK08-4-E	Mitogen-activated Protein Kinase 8 (cluster #4 Of 5), Eukaryotic	Eukaryotes	2900	0.37	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.41	3.95	-15.01	3	7	0	118	305.315	5	↓ MOL2 SDF SMILES Flexibase

4275766

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MK08-4-E	Mitogen-activated Protein Kinase 8 (cluster #4 Of 5), Eukaryotic	Eukaryotes	5400	0.34	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	-2.54	-12.43	3	4	0	72	310.378	4	↓ MOL2 SDF SMILES Flexibase

4281516

Analogs

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And 1 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MK08-4-E	Mitogen-activated Protein Kinase 8 (cluster #4 Of 5), Eukaryotic	Eukaryotes	3600	0.42	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.45	-2.65	-10.91	3	4	0	72	260.318	4	↓ MOL2 SDF SMILES Flexibase

4281482

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And 11 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MK08-4-E	Mitogen-activated Protein Kinase 8 (cluster #4 Of 5), Eukaryotic	Eukaryotes	5900	0.43	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.36	2.59	-10.8	3	4	0	72	246.291	3	↓ MOL2 SDF SMILES Flexibase

9521630

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MK08-4-E	Mitogen-activated Protein Kinase 8 (cluster #4 Of 5), Eukaryotic	Eukaryotes	1800	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.34	-3.49	-14.48	3	6	0	90	304.327	4	↓ MOL2 SDF SMILES Flexibase

71318764

Analogs

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Vendors

Chembo Pharma
- KB-220388

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
JUN-1-E	Proto-oncogene C-JUN (cluster #1 Of 2), Eukaryotic	Eukaryotes	7500	0.34	Binding ≤ 10μM
MK08-4-E	Mitogen-activated Protein Kinase 8 (cluster #4 Of 5), Eukaryotic	Eukaryotes	4620	0.36	Binding ≤ 10μM
MK09-2-E	C-Jun N-terminal Kinase 2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	640	0.41	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.35	4.55	-12.62	3	4	0	72	316.407	4	↓ MOL2 SDF SMILES Flexibase

3260373

Analogs

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And 3 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MK08-4-E	Mitogen-activated Protein Kinase 8 (cluster #4 Of 5), Eukaryotic	Eukaryotes	5700	0.37	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.51	-2.63	-12.38	3	5	0	81	290.344	5	↓ MOL2 SDF SMILES Flexibase

8737681

Analogs

10812633

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And 1 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MK08-4-E	Mitogen-activated Protein Kinase 8 (cluster #4 Of 5), Eukaryotic	Eukaryotes	4300	0.40	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.90	-2.33	-11	3	4	0	72	274.345	4	↓ MOL2 SDF SMILES Flexibase

7614915

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MK08-4-E	Mitogen-activated Protein Kinase 8 (cluster #4 Of 5), Eukaryotic	Eukaryotes	1900	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	-2.62	-12.24	3	5	0	81	304.371	6	↓ MOL2 SDF SMILES Flexibase

12370057

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And 6 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MK08-4-E	Mitogen-activated Protein Kinase 8 (cluster #4 Of 5), Eukaryotic	Eukaryotes	500	0.35	Binding ≤ 10μM
MK09-2-E	C-Jun N-terminal Kinase 2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	8100	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	-3.39	-14.1	1	10	0	128	379.379	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = MK08-4-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 'MK08-4-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=MK08-4-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": "MK08-4-E",        
        "target.type": "B10"        

    });
</script>