ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

153920

Zinc Item 153920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-Hydroxycoumarin-4-acetic acid 7-Hydroxycoumarin-4-acetic acid

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ALDR-1-E	Aldose Reductase (cluster #1 Of 5), Eukaryotic	Eukaryotes	150	0.60	Binding ≤ 10μM
FYN-4-E	Tyrosine-protein Kinase FYN (cluster #4 Of 5), Eukaryotic	Eukaryotes	150	0.60	Binding ≤ 10μM
LCK-3-E	Tyrosine-protein Kinase LCK (cluster #3 Of 4), Eukaryotic	Eukaryotes	35	0.65	Binding ≤ 10μM
P85A-2-E	PI3-kinase P85-alpha Subunit (cluster #2 Of 2), Eukaryotic	Eukaryotes	9300	0.44	Binding ≤ 10μM
P85B-2-E	PI3-kinase P85-beta Subunit (cluster #2 Of 2), Eukaryotic	Eukaryotes	9300	0.44	Binding ≤ 10μM
PLCG1-1-E	Phospholipase C-gamma-1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4900	0.46	Binding ≤ 10μM
PLCG2-2-E	Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4900	0.46	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)	0.86	3.47	-46.37	1	5	-1	91	219.172	2	↓ MOL2 SDF SMILES Flexibase

68750

Zinc Item 68750

Analogs

13097526

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5-oxo-2-phenyl-oxazol-4-ylidene)methyl]benzonitrile 4-[(5-oxo-2-phenyl-oxazol-4-ylid…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PLCG2-2-E	Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2000	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)	3.07	2	-10.96	0	4	0	66	274.279	2	↓ MOL2 SDF SMILES Flexibase

1038604

Zinc Item 1038604

Analogs

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Popular Name: 3-(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)-1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazole 3-(2,2-dimethyl-3,4-dihydro-2H-c…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PLCG2-2-E	Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3000	0.28	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)	4.38	7.58	-13.87	0	6	0	70	398.484	4	↓ MOL2 SDF SMILES Flexibase

1040521

Zinc Item 1040521

Analogs

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Popular Name: N-(2-chlorobenzoyl)-N'-(1,1-dioxo-1H-1lambda~6~-benzo[b]thiophen-6-yl)urea N-(2-chlorobenzoyl)-N'-(1,1-diox…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PLCG2-2-E	Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	9500	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)	2.41	-5.21	-25.1	2	6	0	92	362.794	2	↓ MOL2 SDF SMILES Flexibase

114547

Zinc Item 114547

Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-5-methoxy-1H-indole-2-carboxamide N-(1,3-benzothiazol-2-yl)-5-meth…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PLCG2-2-E	Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	5000	0.32	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)	3.88	-2.42	-12.54	2	5	0	67	323.377	3	↓ MOL2 SDF SMILES Flexibase

108635

Zinc Item 108635

Analogs

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Popular Name: 5-(5-nitro-3-thienyl)-3-(2-pyridyl)-1,2,4-oxadiazole 5-(5-nitro-3-thienyl)-3-(2-pyrid…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PLCG2-2-E	Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2000	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)	2.25	-0.96	-11.36	0	7	0	97	274.261	3	↓ MOL2 SDF SMILES Flexibase

134132

Zinc Item 134132

Analogs

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Popular Name: 6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine 6-(4-methoxyphenyl)-3-phenylthie…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PLCG2-2-E	Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4000	0.33	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)	5.05	8.81	-9.48	0	4	0	48	319.389	3	↓ MOL2 SDF SMILES Flexibase

171580

Zinc Item 171580

Analogs

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Popular Name: 7-nitro-N-phenethyl-1H-indole-2-carboxamide 7-nitro-N-phenethyl-1H-indole-2-…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PLCG2-2-E	Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1000	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)	3.31	-0.95	-11.81	2	6	0	90	309.325	5	↓ MOL2 SDF SMILES Flexibase

114339

Zinc Item 114339

Analogs

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Popular Name: N-(4-chlorophenyl)-7-nitro-1H-indole-2-carboxamide N-(4-chlorophenyl)-7-nitro-1H-in…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PLCG2-2-E	Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1000	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)	3.88	7.34	-35.37	1	6	-1	89	314.708	3	↓ MOL2 SDF SMILES Flexibase

119618

Zinc Item 119618

Analogs

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Popular Name: 4-chloro-N-(4-oxo-4H-3,1-benzothiazin-2-yl)benzamide 4-chloro-N-(4-oxo-4H-3,1-benzoth…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PLCG2-2-E	Phospholipase C-gamma-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2000	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)	3.62	-0.9	-11.39	1	4	0	59	316.769	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = PLCG2-2-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 'PLCG2-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=PLCG2-2-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": "PLCG2-2-E",        
        "target.type": "B10"        

    });
</script>