ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ERR3-1-E	Estrogen-related Receptor Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	660	0.38	Binding ≤ 10μM
ERR3-2-E	Estrogen-related Receptor Gamma (cluster #2 Of 2), Eukaryotic	Eukaryotes	130	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)	3.47	6.39	-14.87	2	5	0	65	311.385	6	↓ MOL2 SDF SMILES Flexibase

175335

Analogs

431572
32910316

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ERR3-1-E	Estrogen-related Receptor Gamma (cluster #1 Of 1), Eukaryotic	Eukaryotes	2000	0.38	Binding ≤ 10μM
ERR3-2-E	Estrogen-related Receptor Gamma (cluster #2 Of 2), Eukaryotic	Eukaryotes	1300	0.39	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)	4.13	-0.91	-14.05	2	4	0	61	282.343	4	↓ MOL2 SDF SMILES Flexibase

46152

Analogs

3213488
32197830
33769124
33769125

Draw Identity 99% 90% 80% 70%

Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 15 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ERR3-2-E	Estrogen-related Receptor Gamma (cluster #2 Of 2), Eukaryotic	Eukaryotes	1600	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.95	9.17	-15.92	1	4	0	45	295.386	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = ERR3-2-E
target.type = F10
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 'ERR3-2-E' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=ERR3-2-E&target.type=F10&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": "ERR3-2-E",        
        "target.type": "F10"        

    });
</script>

ZINC 12

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Structural Results Found: (before additional filtering)

SQL Query Was

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