ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRA1-7-E	GABA Receptor Alpha-1 Subunit (cluster #7 Of 8), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRA2-8-E	GABA Receptor Alpha-2 Subunit (cluster #8 Of 8), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRA3-8-E	GABA Receptor Alpha-3 Subunit (cluster #8 Of 8), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRA4-7-E	GABA Receptor Alpha-4 Subunit (cluster #7 Of 7), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRA5-8-E	GABA Receptor Alpha-5 Subunit (cluster #8 Of 8), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRA6-7-E	GABA Receptor Alpha-6 Subunit (cluster #7 Of 8), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRB1-6-E	GABA Receptor Beta-1 Subunit (cluster #6 Of 6), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRB2-5-E	GABA Receptor Beta-2 Subunit (cluster #5 Of 7), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRD-3-E	GABA Receptor Delta Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRE-3-E	GABA Receptor Epsilon Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRG1-6-E	GABA Receptor Gamma-1 Subunit (cluster #6 Of 7), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRG2-6-E	GABA Receptor Gamma-2 Subunit (cluster #6 Of 7), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRG3-7-E	GABA Receptor Gamma-3 Subunit (cluster #7 Of 7), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRP-3-E	GABA Receptor Pi Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	6100	0.91	Binding ≤ 10μM
GBRT-5-E	GABA Receptor Theta Subunit (cluster #5 Of 5), Eukaryotic	Eukaryotes	6100	0.91	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)	-0.69	0.8	-63.2	3	3	0	68	117.148	3	↓ MOL2 SDF SMILES Flexibase

3581353

Analogs

1706201

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Vendors

And 5 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRA1-7-E	GABA Receptor Alpha-1 Subunit (cluster #7 Of 8), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRA2-8-E	GABA Receptor Alpha-2 Subunit (cluster #8 Of 8), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRA3-8-E	GABA Receptor Alpha-3 Subunit (cluster #8 Of 8), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRA4-7-E	GABA Receptor Alpha-4 Subunit (cluster #7 Of 7), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRA5-8-E	GABA Receptor Alpha-5 Subunit (cluster #8 Of 8), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRA6-7-E	GABA Receptor Alpha-6 Subunit (cluster #7 Of 8), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRB1-6-E	GABA Receptor Beta-1 Subunit (cluster #6 Of 6), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRB2-5-E	GABA Receptor Beta-2 Subunit (cluster #5 Of 7), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRD-3-E	GABA Receptor Delta Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRE-3-E	GABA Receptor Epsilon Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRG1-6-E	GABA Receptor Gamma-1 Subunit (cluster #6 Of 7), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRG2-6-E	GABA Receptor Gamma-2 Subunit (cluster #6 Of 7), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRG3-7-E	GABA Receptor Gamma-3 Subunit (cluster #7 Of 7), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRP-3-E	GABA Receptor Pi Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	5200	0.92	Binding ≤ 10μM
GBRT-5-E	GABA Receptor Theta Subunit (cluster #5 Of 5), Eukaryotic	Eukaryotes	5200	0.92	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)	-0.69	0.82	-62.84	3	3	0	68	117.148	3	↓ MOL2 SDF SMILES Flexibase

1532620

Analogs

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GABR1-2-E	GABA-B Receptor 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	60	1.44	Binding ≤ 10μM
GABR2-2-E	GABA-B Receptor 2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	60	1.44	Binding ≤ 10μM
GBRA1-7-E	GABA Receptor Alpha-1 Subunit (cluster #7 Of 8), Eukaryotic	Eukaryotes	10000	1.00	Binding ≤ 10μM
GBRA2-8-E	GABA Receptor Alpha-2 Subunit (cluster #8 Of 8), Eukaryotic	Eukaryotes	25	1.52	Binding ≤ 10μM
GBRA3-8-E	GABA Receptor Alpha-3 Subunit (cluster #8 Of 8), Eukaryotic	Eukaryotes	25	1.52	Binding ≤ 10μM
GBRA4-7-E	GABA Receptor Alpha-4 Subunit (cluster #7 Of 7), Eukaryotic	Eukaryotes	25	1.52	Binding ≤ 10μM
GBRA5-8-E	GABA Receptor Alpha-5 Subunit (cluster #8 Of 8), Eukaryotic	Eukaryotes	25	1.52	Binding ≤ 10μM
GBRA6-7-E	GABA Receptor Alpha-6 Subunit (cluster #7 Of 8), Eukaryotic	Eukaryotes	25	1.52	Binding ≤ 10μM
GBRB1-6-E	GABA Receptor Beta-1 Subunit (cluster #6 Of 6), Eukaryotic	Eukaryotes	200	1.34	Binding ≤ 10μM
GBRB2-5-E	GABA Receptor Beta-2 Subunit (cluster #5 Of 7), Eukaryotic	Eukaryotes	200	1.34	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	200	1.34	Binding ≤ 10μM
GBRD-3-E	GABA Receptor Delta Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	200	1.34	Binding ≤ 10μM
GBRE-3-E	GABA Receptor Epsilon Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	200	1.34	Binding ≤ 10μM
GBRG1-6-E	GABA Receptor Gamma-1 Subunit (cluster #6 Of 7), Eukaryotic	Eukaryotes	200	1.34	Binding ≤ 10μM
GBRG2-6-E	GABA Receptor Gamma-2 Subunit (cluster #6 Of 7), Eukaryotic	Eukaryotes	200	1.34	Binding ≤ 10μM
GBRG3-7-E	GABA Receptor Gamma-3 Subunit (cluster #7 Of 7), Eukaryotic	Eukaryotes	200	1.34	Binding ≤ 10μM
GBRP-3-E	GABA Receptor Pi Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	200	1.34	Binding ≤ 10μM
GBRT-5-E	GABA Receptor Theta Subunit (cluster #5 Of 5), Eukaryotic	Eukaryotes	200	1.34	Binding ≤ 10μM
S6A11-1-E	GABA Transporter 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	1.03	Binding ≤ 10μM
S6A13-1-E	GABA Transporter 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5000	1.06	Binding ≤ 10μM
SC6A1-2-E	GABA Transporter 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	5000	1.06	Binding ≤ 10μM
GABR1-1-E	GABA-B Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1700	1.15	Functional ≤ 10μM
GBRA1-5-E	GABA Receptor Alpha-1 Subunit (cluster #5 Of 5), Eukaryotic	Eukaryotes	1450	1.17	Functional ≤ 10μM
GBRA2-4-E	GABA Receptor Alpha-2 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	1450	1.17	Functional ≤ 10μM
GBRA3-4-E	GABA Receptor Alpha-3 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	1450	1.17	Functional ≤ 10μM
GBRA4-4-E	GABA Receptor Alpha-4 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	1450	1.17	Functional ≤ 10μM
GBRA5-4-E	GABA Receptor Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	3000	1.10	Functional ≤ 10μM
GBRA6-4-E	GABA Receptor Alpha-6 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	1500	1.16	Functional ≤ 10μM
GBRB3-2-E	GABA Receptor Beta-3 Subunit (cluster #2 Of 2), Eukaryotic	Eukaryotes	3000	1.10	Functional ≤ 10μM
GBRG2-2-E	GABA Receptor Gamma-2 Subunit (cluster #2 Of 2), Eukaryotic	Eukaryotes	3000	1.10	Functional ≤ 10μM
GBRR1-4-E	GABA Receptor Rho-1 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	800	1.22	Functional ≤ 10μM
GBRR2-2-E	GABA Receptor Rho-2 Subunit (cluster #2 Of 3), Eukaryotic	Eukaryotes	1700	1.15	Functional ≤ 10μM
GBRR3-1-E	GABA Receptor Rho-3 Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	1700	1.15	Functional ≤ 10μM
S6A11-2-E	GABA Transporter 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3000	1.10	Functional ≤ 10μM
S6A12-1-E	Betaine Transporter (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	1.10	Functional ≤ 10μM
S6A13-2-E	GABA Transporter 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3000	1.10	Functional ≤ 10μM
SC6A1-1-E	GABA Transporter 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	1.10	Functional ≤ 10μM
Z104301-3-O	GABA-A Receptor; Anion Channel (cluster #3 Of 8), Other	Other	49	1.46	Binding ≤ 10μM
Z50597-3-O	Rattus Norvegicus (cluster #3 Of 5), Other	Other	8600	1.01	Binding ≤ 10μM
Z50597-7-O	Rattus Norvegicus (cluster #7 Of 12), Other	Other	70	1.43	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)	-1.10	0.98	-62.79	3	3	0	68	103.121	3	↓ MOL2 SDF SMILES Flexibase

4081043

Analogs

3800039

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Vendors

Molport
- MolPort-002-525-476
American Custom Chemicals Corp.
- SHG0000527
- SHG0000071
- SHG0000774
IBScreen NP
- STOCK1N-51634

And 6 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRA2-4-E	GABA Receptor Alpha-2 Subunit (cluster #4 Of 8), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
GBRA3-4-E	GABA Receptor Alpha-3 Subunit (cluster #4 Of 8), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
GBRA4-4-E	GABA Receptor Alpha-4 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
GBRA5-2-E	GABA Receptor Alpha-5 Subunit (cluster #2 Of 8), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
GBRA6-3-E	GABA Receptor Alpha-6 Subunit (cluster #3 Of 8), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
GBRB1-2-E	GABA Receptor Beta-1 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
GBRD-3-E	GABA Receptor Delta Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
GBRE-3-E	GABA Receptor Epsilon Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
GBRG1-2-E	GABA Receptor Gamma-1 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
GBRG3-3-E	GABA Receptor Gamma-3 Subunit (cluster #3 Of 7), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
GBRP-3-E	GABA Receptor Pi Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
Q91ZM7-2-E	GABA Receptor Theta Subunit (cluster #2 Of 3), Eukaryotic	Eukaryotes	74	0.43	Binding ≤ 10μM
GBRA1-2-E	GABA Receptor Alpha-1 Subunit (cluster #2 Of 5), Eukaryotic	Eukaryotes	160	0.41	Functional ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 2), Eukaryotic	Eukaryotes	160	0.41	Functional ≤ 10μM
GBRG2-2-E	GABA Receptor Gamma-2 Subunit (cluster #2 Of 2), Eukaryotic	Eukaryotes	160	0.41	Functional ≤ 10μM
Z104301-2-O	GABA-A Receptor; Anion Channel (cluster #2 Of 8), Other	Other	91	0.43	Binding ≤ 10μM
Z50425-4-O	Plasmodium Falciparum (cluster #4 Of 22), Other	Other	10000	0.30	Functional ≤ 10μM
Z50573-2-O	Xenopus Laevis (cluster #2 Of 2), Other	Other	5500	0.32	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)	4.18	8.25	-5.76	1	2	0	37	318.501	1	↓ MOL2 SDF SMILES Flexibase

3800039

Analogs

3978254
3978255
4073949
4081038
4081040

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Vendors

American Custom Chemicals Corp.
- SHG0000527
- SHG0000071
- API0002534
- SHG0000774
FineTech
- FT-0603337

And 2 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRA2-4-E	GABA Receptor Alpha-2 Subunit (cluster #4 Of 8), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
GBRA3-4-E	GABA Receptor Alpha-3 Subunit (cluster #4 Of 8), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
GBRA4-4-E	GABA Receptor Alpha-4 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
GBRA5-2-E	GABA Receptor Alpha-5 Subunit (cluster #2 Of 8), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
GBRA6-3-E	GABA Receptor Alpha-6 Subunit (cluster #3 Of 8), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
GBRB1-2-E	GABA Receptor Beta-1 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
GBRD-3-E	GABA Receptor Delta Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
GBRE-3-E	GABA Receptor Epsilon Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
GBRG1-2-E	GABA Receptor Gamma-1 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
GBRG3-3-E	GABA Receptor Gamma-3 Subunit (cluster #3 Of 7), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
GBRP-3-E	GABA Receptor Pi Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
Q91ZM7-2-E	GABA Receptor Theta Subunit (cluster #2 Of 3), Eukaryotic	Eukaryotes	71	0.44	Binding ≤ 10μM
Z104301-2-O	GABA-A Receptor; Anion Channel (cluster #2 Of 8), Other	Other	71	0.44	Binding ≤ 10μM
Z50573-2-O	Xenopus Laevis (cluster #2 Of 2), Other	Other	60	0.44	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)	4.17	-0.08	-5.26	1	2	0	37	318.501	1	↓ MOL2 SDF SMILES Flexibase

6093177

Analogs

6093247

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GABR1-1-E	GABA-B Receptor 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1330	0.59	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1330	0.59	Binding ≤ 10μM
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	800	0.61	Binding ≤ 10μM
GBRB2-4-E	GABA Receptor Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	800	0.61	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	800	0.61	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)	-0.93	-1.06	-53.62	3	3	0	67	197.209	4	↓ MOL2 SDF SMILES Flexibase

Analogs

85733

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Popular Name: Baclofen Baclofen

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA3R-3-E	Adenosine Receptor A3 (cluster #3 Of 6), Eukaryotic	Eukaryotes	50	0.73	Binding ≤ 10μM
GABR1-1-E	GABA-B Receptor 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	32	0.75	Binding ≤ 10μM
GABR1-1-E	GABA-B Receptor 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	60	0.72	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	32	0.75	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	60	0.72	Binding ≤ 10μM
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	330	0.65	Binding ≤ 10μM
GBRB2-4-E	GABA Receptor Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	330	0.65	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	330	0.65	Binding ≤ 10μM
Z104301-5-O	GABA-A Receptor; Anion Channel (cluster #5 Of 8), Other	Other	30	0.75	Binding ≤ 10μM
Z50512-6-O	Cavia Porcellus (cluster #6 Of 7), Other	Other	6400	0.52	Functional ≤ 10μM
Z50597-12-O	Rattus Norvegicus (cluster #12 Of 12), Other	Other	330	0.65	Functional ≤ 10μM
Z50597-12-O	Rattus Norvegicus (cluster #12 Of 12), Other	Other	1800	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)	-0.42	4.81	-48.33	3	3	0	68	213.664	4	↓ MOL2 SDF SMILES Flexibase

6093614

Analogs

6093626

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Popular Name: DNC014697 DNC014697

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Vendors

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GABR1-2-E	GABA-B Receptor 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	9720	0.58	Binding ≤ 10μM
GABR2-2-E	GABA-B Receptor 2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	9720	0.58	Binding ≤ 10μM
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	9720	0.58	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	9720	0.58	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	9720	0.58	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)	-1.67	2.69	-50.54	3	3	0	68	185.248	4	↓ MOL2 SDF SMILES Flexibase

3808883

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Enamine BB Make on Demand
- BBV-42894705

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	9000	0.64	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	9000	0.64	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	9000	0.64	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)	-0.22	-1.97	-67.58	2	4	0	65	159.185	2	↓ MOL2 SDF SMILES Flexibase

29332890

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Enamine BB Make on Demand
- BBV-42894705

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	9000	0.64	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	9000	0.64	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	9000	0.64	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)	-0.22	1.79	-68.69	2	4	0	66	159.185	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.22	0.46	-50.59	1	4	-1	61	158.177	2	↓ MOL2 SDF SMILES Flexibase

29332894

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	9000	0.64	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	9000	0.64	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	9000	0.64	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)	-0.22	1.68	-70.35	2	4	0	66	159.185	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.22	0.34	-48.74	1	4	-1	61	158.177	2	↓ MOL2 SDF SMILES Flexibase

29332899

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- BBV-42894705

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	9000	0.64	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	9000	0.64	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	9000	0.64	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)	-0.22	1.81	-68.69	2	4	0	66	159.185	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.22	0.47	-48.82	1	4	-1	61	158.177	2	↓ MOL2 SDF SMILES Flexibase

3808881

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	10000	0.58	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	10000	0.58	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	10000	0.58	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)	0.31	-1.63	-64.6	2	4	0	65	173.212	3	↓ MOL2 SDF SMILES Flexibase

29333986

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	10000	0.58	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	10000	0.58	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	10000	0.58	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)	0.31	2.45	-68.71	2	4	0	66	173.212	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.31	1.12	-50.35	1	4	-1	61	172.204	3	↓ MOL2 SDF SMILES Flexibase

29333991

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	10000	0.58	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	10000	0.58	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	10000	0.58	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)	0.31	2.46	-68.74	2	4	0	66	173.212	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.31	1.26	-48.68	1	4	-1	61	172.204	3	↓ MOL2 SDF SMILES Flexibase

29333996

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	10000	0.58	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	10000	0.58	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	10000	0.58	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)	0.31	2.6	-67.02	2	4	0	66	173.212	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.31	1.4	-48.68	1	4	-1	61	172.204	3	↓ MOL2 SDF SMILES Flexibase

6164

Analogs

2546079

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And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
Z50512-2-O	Cavia Porcellus (cluster #2 Of 7), Other	Other	4600	0.62	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)	0.26	3.23	-60.75	2	4	0	66	173.212	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.26	2.03	-48.26	1	4	-1	61	172.204	2	↓ MOL2 SDF SMILES Flexibase

2546079

Analogs

6164

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And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
Z50512-2-O	Cavia Porcellus (cluster #2 Of 7), Other	Other	4600	0.62	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)	0.26	3.23	-60.76	2	4	0	66	173.212	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.26	2.02	-47.01	1	4	-1	61	172.204	2	↓ MOL2 SDF SMILES Flexibase

13823786

Analogs

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Popular Name: DNC014692 DNC014692

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GABR1-1-E	GABA-B Receptor 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	800	0.61	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	800	0.61	Binding ≤ 10μM
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	800	0.61	Binding ≤ 10μM
GBRB2-1-E	GABA Receptor Beta-2 Subunit (cluster #1 Of 7), Eukaryotic	Eukaryotes	800	0.61	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	800	0.61	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)	-0.94	3.81	-51.07	3	3	0	68	213.664	4	↓ MOL2 SDF SMILES Flexibase

3875364

Analogs

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Popular Name: ETIOCHOLANOLONE ETIOCHOLANOLONE

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DHB3-3-E	Estradiol 17-beta-dehydrogenase 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	330	0.43	Binding ≤ 10μM
GBRA2-4-E	GABA Receptor Alpha-2 Subunit (cluster #4 Of 8), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
GBRA3-4-E	GABA Receptor Alpha-3 Subunit (cluster #4 Of 8), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
GBRA4-4-E	GABA Receptor Alpha-4 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
GBRA5-2-E	GABA Receptor Alpha-5 Subunit (cluster #2 Of 8), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
GBRA6-3-E	GABA Receptor Alpha-6 Subunit (cluster #3 Of 8), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
GBRB1-2-E	GABA Receptor Beta-1 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
GBRD-3-E	GABA Receptor Delta Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
GBRE-3-E	GABA Receptor Epsilon Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
GBRG1-2-E	GABA Receptor Gamma-1 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
GBRG3-3-E	GABA Receptor Gamma-3 Subunit (cluster #3 Of 7), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
GBRP-3-E	GABA Receptor Pi Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
Q91ZM7-2-E	GABA Receptor Theta Subunit (cluster #2 Of 3), Eukaryotic	Eukaryotes	4140	0.36	Binding ≤ 10μM
GPBAR-2-E	G-protein Coupled Bile Acid Receptor 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3760	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)	3.43	6.62	-6.45	1	2	0	37	290.447	0	↓ MOL2 SDF SMILES Flexibase

3861550

Analogs

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Popular Name: ANDROSTERONE ANDROSTERONE

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRA2-4-E	GABA Receptor Alpha-2 Subunit (cluster #4 Of 8), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
GBRA3-4-E	GABA Receptor Alpha-3 Subunit (cluster #4 Of 8), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
GBRA4-4-E	GABA Receptor Alpha-4 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
GBRA5-2-E	GABA Receptor Alpha-5 Subunit (cluster #2 Of 8), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
GBRA6-3-E	GABA Receptor Alpha-6 Subunit (cluster #3 Of 8), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
GBRB1-2-E	GABA Receptor Beta-1 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
GBRD-3-E	GABA Receptor Delta Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
GBRE-3-E	GABA Receptor Epsilon Subunit (cluster #3 Of 5), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
GBRG1-2-E	GABA Receptor Gamma-1 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
GBRG3-3-E	GABA Receptor Gamma-3 Subunit (cluster #3 Of 7), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
GBRP-3-E	GABA Receptor Pi Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
Q91ZM7-2-E	GABA Receptor Theta Subunit (cluster #2 Of 3), Eukaryotic	Eukaryotes	410	0.43	Binding ≤ 10μM
GPBAR-2-E	G-protein Coupled Bile Acid Receptor 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	6220	0.35	Functional ≤ 10μM
Z104301-2-O	GABA-A Receptor; Anion Channel (cluster #2 Of 8), Other	Other	1367	0.39	Binding ≤ 10μM
Z50573-2-O	Xenopus Laevis (cluster #2 Of 2), Other	Other	3380	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)	3.43	6.9	-6.34	1	2	0	37	290.447	0	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = GBRB3-4-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 'GBRB3-4-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=GBRB3-4-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": "GBRB3-4-E",        
        "target.type": "B10"        

    });
</script>