ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	6	0.35	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	1900	0.24	Binding ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	85	0.30	Binding ≤ 10μM
MCR-1-E	Mineralocorticoid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	1600	0.25	Binding ≤ 10μM
PRGR-2-E	Progesterone Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	0	0.00	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)	5.54	0.4	-14.47	1	5	0	68	449.591	5	↓ MOL2 SDF SMILES Flexibase

519098

Analogs

519099
519452
4027098
4027099
4027100

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Vendors

Asinex
- BAS00224608
Pharmeks
- PHAR050765

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	3200	0.40	Binding ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 4), Eukaryotic	Eukaryotes	850	0.45	Binding ≤ 10μM
ESR1-1-E	Estrogen Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	20	0.57	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	20	0.57	Functional ≤ 10μM
Z80224-1-O	MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other	Other	20	0.57	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)	2.54	-3.38	-5.95	2	3	0	49	260.333	2	↓ MOL2 SDF SMILES Flexibase

519099

Analogs

519452
4027098
4027099
4027100
187200

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	3200	0.40	Binding ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 4), Eukaryotic	Eukaryotes	850	0.45	Binding ≤ 10μM
ESR1-1-E	Estrogen Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	20	0.57	Functional ≤ 10μM
ESR1-1-E	Estrogen Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	835	0.45	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	20	0.57	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	61	0.53	Functional ≤ 10μM
Z80224-1-O	MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other	Other	20	0.57	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)	2.54	-3.33	-6.32	2	3	0	49	260.333	2	↓ MOL2 SDF SMILES Flexibase

4011612

Analogs

2564677
3814414

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Vendors

NCI Plated 2007
- 84034

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	6324	0.33	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	1754	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)	2.25	-5.28	-5.07	3	3	0	60	306.446	1	↓ MOL2 SDF SMILES Flexibase

4081388

Analogs

2564677
3814414

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	6324	0.33	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	1754	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)	2.25	-5.49	-5.06	3	3	0	60	306.446	1	↓ MOL2 SDF SMILES Flexibase

4081389

Analogs

2564677
3814414

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	6324	0.33	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	1754	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)	2.25	-5.14	-4.93	3	3	0	60	306.446	1	↓ MOL2 SDF SMILES Flexibase

3814414

Analogs

3881346
3881347
3881348
3881349
4011612

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Popular Name: Androstenediol Androstenediol

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Vendors

And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	212	0.44	Binding ≤ 10μM
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	230	0.44	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	180	0.45	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	210	0.45	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	10	0.53	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	10	0.53	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 3), Eukaryotic	Eukaryotes	26	0.51	Functional ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 3), Eukaryotic	Eukaryotes	26	0.51	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.55	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.55	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)	3.43	4.61	-3.65	2	2	0	40	290.447	0	↓ MOL2 SDF SMILES Flexibase

29475774

Analogs

34633676

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Popular Name: DNC003727 DNC003727

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Vendors

Chembo Pharma
- KB-271981

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	269	0.28	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	20	0.33	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	20	0.33	Binding ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	42	0.31	Binding ≤ 10μM
PRGR-1-E	Progesterone Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	3	0.36	Binding ≤ 10μM
ANDR-2-E	Androgen Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	269	0.28	Functional ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	27	0.32	Functional ≤ 10μM
MCR-2-E	Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	470	0.27	Functional ≤ 10μM
PRGR-2-E	Progesterone Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	3	0.36	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)	4.53	8.94	-11.75	2	4	0	61	449.635	5	↓ MOL2 SDF SMILES Flexibase

34633676

Analogs

34357010
29475774
3831947

Draw Identity 99% 90% 80% 70%

Popular Name: DNC003727 DNC003727

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Vendors

Chembo Pharma
- KB-271981

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	269	0.28	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	20	0.33	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	20	0.33	Binding ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	42	0.31	Binding ≤ 10μM
PRGR-1-E	Progesterone Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	3	0.36	Binding ≤ 10μM
ANDR-2-E	Androgen Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	269	0.28	Functional ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	27	0.32	Functional ≤ 10μM
MCR-2-E	Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	470	0.27	Functional ≤ 10μM
PRGR-2-E	Progesterone Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	3	0.36	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)	4.53	9.12	-10.53	2	4	0	61	449.635	5	↓ MOL2 SDF SMILES Flexibase

5029557

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

And 22 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	3	0.43	Binding ≤ 10μM
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	6	0.41	Binding ≤ 10μM
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	6	0.41	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	924	0.30	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	924	0.30	Binding ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	10	0.40	Binding ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	13	0.39	Binding ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	13	0.39	Binding ≤ 10μM
MCR-1-E	Mineralocorticoid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	1197	0.30	Binding ≤ 10μM
PRGR-1-E	Progesterone Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
PRGR-1-E	Progesterone Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	11	0.40	Binding ≤ 10μM
PRGR-1-E	Progesterone Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	11	0.40	Binding ≤ 10μM
ANDR-2-E	Androgen Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	6	0.41	Functional ≤ 10μM
ANDR-2-E	Androgen Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	6	0.41	Functional ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 3), Eukaryotic	Eukaryotes	924	0.30	Functional ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 3), Eukaryotic	Eukaryotes	924	0.30	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	924	0.30	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	924	0.30	Functional ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	10	0.40	Functional ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	10	0.40	Functional ≤ 10μM
MCR-2-E	Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1197	0.30	Functional ≤ 10μM
MCR-2-E	Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1197	0.30	Functional ≤ 10μM
PRGR-2-E	Progesterone Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	0	0.00	Functional ≤ 10μM
PRGR-2-E	Progesterone Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1	0.45	Functional ≤ 10μM
PRGR-2-E	Progesterone Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	10000	0.25	Functional ≤ 10μM
Z80712-2-O	T47D (Breast Carcinoma Cells) (cluster #2 Of 2), Other	Other	11	0.40	Binding ≤ 10μM
Z80712-1-O	T47D (Breast Carcinoma Cells) (cluster #1 Of 7), Other	Other	0	0.00	Functional ≤ 10μM
Z80712-1-O	T47D (Breast Carcinoma Cells) (cluster #1 Of 7), Other	Other	1	0.45	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)	4.04	11.72	-14.72	0	4	0	60	386.532	3	↓ MOL2 SDF SMILES Flexibase

3830224

Analogs

3881346
3881347
3881348
3881349
4011612

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Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	212	0.44	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	210	0.45	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	10	0.53	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 3), Eukaryotic	Eukaryotes	26	0.51	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.55	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)	3.43	4.81	-3.45	2	2	0	40	290.447	0	↓ MOL2 SDF SMILES Flexibase

3830226

Analogs

Draw Identity 99% 90% 80% 70%

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And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	212	0.44	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	210	0.45	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	10	0.53	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 3), Eukaryotic	Eukaryotes	26	0.51	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.55	Functional ≤ 10μM
Z80224-2-O	MCF7 (Breast Carcinoma Cells) (cluster #2 Of 14), Other	Other	1	0.60	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)	3.43	4.81	-3.19	2	2	0	40	290.447	0	↓ MOL2 SDF SMILES Flexibase

4026334

Analogs

2564677
3814414

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Vendors

Molport
- MolPort-002-510-743
IBScreen NP
- STOCK1N-08688

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	212	0.44	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	210	0.45	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	10	0.53	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 3), Eukaryotic	Eukaryotes	26	0.51	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.55	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)	3.43	-3.02	-3.61	2	2	0	40	290.447	0	↓ MOL2 SDF SMILES Flexibase

4428529

Analogs

120294
2046798

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Popular Name: Progesterone Progesterone

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Vendors

And 26 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	37	0.45	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	4	0.51	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	4	0.51	Binding ≤ 10μM
FABPL-1-E	Fatty Acid-binding Protein, Liver (cluster #1 Of 4), Eukaryotic	Eukaryotes	27	0.46	Binding ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	31	0.46	Binding ≤ 10μM
MCR-1-E	Mineralocorticoid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	14	0.48	Binding ≤ 10μM
PRGR-1-E	Progesterone Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	3	0.52	Binding ≤ 10μM
S5A1-1-E	Steroid 5-alpha-reductase 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2600	0.34	Binding ≤ 10μM
S5A2-1-E	Steroid 5-alpha-reductase 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2600	0.34	Binding ≤ 10μM
SGMR1-2-E	Sigma Opioid Receptor (cluster #2 Of 6), Eukaryotic	Eukaryotes	260	0.40	Binding ≤ 10μM
ANDR-2-E	Androgen Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	37	0.45	Functional ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 3), Eukaryotic	Eukaryotes	10000	0.30	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	10000	0.30	Functional ≤ 10μM
GPBAR-2-E	G-protein Coupled Bile Acid Receptor 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	2770	0.34	Functional ≤ 10μM
MCR-2-E	Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	30	0.46	Functional ≤ 10μM
PRGR-2-E	Progesterone Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	3	0.52	Functional ≤ 10μM
CP2C9-2-E	Cytochrome P450 2C9 (cluster #2 Of 3), Eukaryotic	Eukaryotes	5500	0.32	ADME/T ≤ 10μM
ERG2-1-F	C-8 Sterol Isomerase (cluster #1 Of 2), Fungal	Fungi	4430	0.33	Binding ≤ 10μM
Z50425-4-O	Plasmodium Falciparum (cluster #4 Of 22), Other	Other	6310	0.32	Functional ≤ 10μM
Z80712-1-O	T47D (Breast Carcinoma Cells) (cluster #1 Of 7), Other	Other	1	0.55	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)	3.81	10.64	-9.9	0	2	0	34	314.469	1	↓ MOL2 SDF SMILES Flexibase

3814419

Analogs

16968675

Draw Identity 99% 90% 80% 70%

Popular Name: Norethindrone Norethindrone

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Vendors

And 27 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	1	0.57	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	1	0.57	Binding ≤ 10μM
PRGR-1-E	Progesterone Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	3	0.54	Binding ≤ 10μM
PRGR-2-E	Progesterone Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	2	0.55	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)	3.07	8.05	-6.86	1	2	0	37	298.426	0	↓ MOL2 SDF SMILES Flexibase

8660419

Analogs

3814382

Draw Identity 99% 90% 80% 70%

Popular Name: MI MI

Find On: PubMed — Wikipedia — Google

Vendors

BioSynth
- Q-201405

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ANDR-2-E	Androgen Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	89	0.31	Binding ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 5), Eukaryotic	Eukaryotes	5000	0.23	Binding ≤ 10μM
ESR2-2-E	Estrogen Receptor Beta (cluster #2 Of 4), Eukaryotic	Eukaryotes	2876	0.24	Binding ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	410	0.28	Binding ≤ 10μM
MCR-1-E	Mineralocorticoid Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	640	0.27	Binding ≤ 10μM
PRGR-1-E	Progesterone Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	4	0.37	Binding ≤ 10μM
ANDR-2-E	Androgen Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	8	0.35	Functional ≤ 10μM
ESR1-2-E	Estrogen Receptor Alpha (cluster #2 Of 3), Eukaryotic	Eukaryotes	2244	0.25	Functional ≤ 10μM
ESR2-1-E	Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic	Eukaryotes	812	0.27	Functional ≤ 10μM
GCR-2-E	Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	2	0.38	Functional ≤ 10μM
MCR-2-E	Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1155	0.26	Functional ≤ 10μM
PRGR-2-E	Progesterone Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	3	0.37	Functional ≤ 10μM
CP3A4-2-E	Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic	Eukaryotes	4700	0.23	ADME/T ≤ 10μM
Z50425-4-O	Plasmodium Falciparum (cluster #4 Of 22), Other	Other	6310	0.23	Functional ≤ 10μM
Z80110-2-O	CV-1 (Kidney Cells) (cluster #2 Of 2), Other	Other	10	0.35	Functional ≤ 10μM
Z80491-2-O	SK-N-MC (Neuroepithelioma Cells) (cluster #2 Of 4), Other	Other	0	0.00	Functional ≤ 10μM
Z80951-1-O	NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other	Other	2	0.38	Functional ≤ 10μM
VP16-1-V	Alpha Trans-inducing Protein (VP16) (cluster #1 Of 1), Viral	Viruses	1	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)	5.60	1.26	-10.46	1	3	0	40	429.604	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = ESR1-2-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 'ESR1-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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Embed Link to Results

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