ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RORA-1-E	Nuclear Receptor ROR-alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	3220	0.26	Binding ≤ 10μM
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1060	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)	2.58	10.65	-20.18	1	7	0	87	408.454	9	↓ MOL2 SDF SMILES Flexibase

2712350

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RORA-1-E	Nuclear Receptor ROR-alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	3220	0.26	Binding ≤ 10μM
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1060	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)	2.58	10.65	-19.93	1	7	0	87	408.454	9	↓ MOL2 SDF SMILES Flexibase

2712351

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RORA-1-E	Nuclear Receptor ROR-alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	1680	0.26	Binding ≤ 10μM
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	680	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)	2.74	10.72	-20.63	1	7	0	87	426.444	9	↓ MOL2 SDF SMILES Flexibase

2712352

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
RORA-1-E	Nuclear Receptor ROR-alpha (cluster #1 Of 1), Eukaryotic	Eukaryotes	1680	0.26	Binding ≤ 10μM
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	680	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)	2.74	10.72	-20.44	1	7	0	87	426.444	9	↓ MOL2 SDF SMILES Flexibase

2712346

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1770	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)	3.08	10.32	-20.63	1	7	0	87	400.475	8	↓ MOL2 SDF SMILES Flexibase

2712347

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1770	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)	3.08	10.33	-20.28	1	7	0	87	400.475	8	↓ MOL2 SDF SMILES Flexibase

2712318

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.30	Binding ≤ 10μM
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.30	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)	2.93	2.17	-22.56	1	8	0	96	424.453	9	↓ MOL2 SDF SMILES Flexibase

2712319

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.30	Binding ≤ 10μM
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.30	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)	2.93	2.2	-23.24	1	8	0	96	424.453	9	↓ MOL2 SDF SMILES Flexibase

2712323

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	190	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)	3.31	10.74	-22.06	1	8	0	96	438.48	10	↓ MOL2 SDF SMILES Flexibase

2712324

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	190	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)	3.31	10.76	-21.84	1	8	0	96	438.48	10	↓ MOL2 SDF SMILES Flexibase

2712353

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	260	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)	2.47	9.31	-22.24	1	9	0	105	452.463	9	↓ MOL2 SDF SMILES Flexibase

2712354

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	260	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)	2.47	9.31	-22.03	1	9	0	105	452.463	9	↓ MOL2 SDF SMILES Flexibase

2712284

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	110	0.31	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)	3.79	2.67	-21.46	1	7	0	86	422.481	9	↓ MOL2 SDF SMILES Flexibase

2712285

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	110	0.31	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)	3.79	2.64	-20.94	1	7	0	86	422.481	9	↓ MOL2 SDF SMILES Flexibase

2712340

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	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)	3.84	3.69	-20.56	1	8	0	96	478.423	10	↓ MOL2 SDF SMILES Flexibase

2712341

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	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)	3.84	3.72	-20.99	1	8	0	96	478.423	10	↓ MOL2 SDF SMILES Flexibase

2712286

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	360	0.27	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)	4.74	2.92	-21.33	1	7	0	87	450.535	11	↓ MOL2 SDF SMILES Flexibase

2712287

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	360	0.27	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)	4.74	2.88	-20.71	1	7	0	87	450.535	11	↓ MOL2 SDF SMILES Flexibase

2712270

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	340	0.30	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)	3.32	2.49	-21.19	1	7	0	86	408.454	8	↓ MOL2 SDF SMILES Flexibase

2712271

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	340	0.30	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)	3.32	2.52	-21.74	1	7	0	86	408.454	8	↓ MOL2 SDF SMILES Flexibase

2712357

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	360	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)	2.98	11.42	-22.28	1	7	0	87	422.481	10	↓ MOL2 SDF SMILES Flexibase

2712358

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	360	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)	2.98	11.42	-22.05	1	7	0	87	422.481	10	↓ MOL2 SDF SMILES Flexibase

2019847

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21300002

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
STF1-1-E	Steroidogenic Factor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7300	0.48	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)	4.47	-0.2	-4.11	1	2	0	29	208.301	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = STF1_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'STF1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=STF1_HUMAN&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', {
        "annotation.name": "STF1_HUMAN"        

    });
</script>