ZINC 12

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	16	1.36	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1	1.58	Binding ≤ 10μM
GABR1-1-E	GABA-B Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	1.17	Functional ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	1.17	Functional ≤ 10μM
Z50425-5-O	Plasmodium Falciparum (cluster #5 Of 22), Other	Other	3162	0.96	Functional ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	450	1.11	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)	-1.55	-0.77	-49.63	3	3	0	68	137.119	3	↓ MOL2 SDF SMILES Flexibase

20028799

Analogs

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Popular Name: CGP-35024 CGP-35024

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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
GABR1-1-E	GABA-B Receptor 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	16	1.36	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1	1.58	Binding ≤ 10μM
GABR1-1-E	GABA-B Receptor 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	1.17	Functional ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	1.17	Functional ≤ 10μM
Z50425-5-O	Plasmodium Falciparum (cluster #5 Of 22), Other	Other	3162	0.96	Functional ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	450	1.11	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

13742954

Analogs

13742955
13742956
22112695

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Popular Name: CGP-34938 CGP-34938

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Vendors

Molport BB
- MolPort-003-824-912

Activity (Go SEA)

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	77	1.11	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	77	1.11	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	-3.12	-59.28	4	4	0	88	153.118	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.47	-3.7	-40.26	3	4	-1	86	152.11	3	↓ MOL2 SDF SMILES Flexibase

22112695

Analogs

13742954
13742955
13742956

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Popular Name: CGP-34938 CGP-34938

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Vendors

Molport BB
- MolPort-003-824-912

Activity (Go SEA)

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	77	1.11	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	77	1.11	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	-3.47	-59.85	4	4	0	88	153.118	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.47	-4.06	-40.85	3	4	-1	86	152.11	3	↓ MOL2 SDF SMILES Flexibase

Analogs

85733

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Popular Name: Baclofen Baclofen

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Vendors

And 64 More

Activity (Go SEA)

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

85733

Analogs

61

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Popular Name: Baclofen Baclofen

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Vendors

And 53 More

Activity (Go SEA)

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	60	0.72	Binding ≤ 10μM
GABR1-1-E	GABA-B Receptor 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1770	0.58	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	60	0.72	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1770	0.58	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	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	4.85	-63	3	3	0	68	213.664	4	↓ MOL2 SDF SMILES Flexibase

13742955

Analogs

13742956
22112695
13742954

Draw Identity 99% 90% 80% 70%

Popular Name: CGP-34938 CGP-34938

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Vendors

Molport BB
- MolPort-003-824-912

Activity (Go SEA)

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	152	1.06	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	152	1.06	Binding ≤ 10μM
GBRR1-1-E	GABA Receptor Rho-1 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	5400	0.82	Functional ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	600	0.97	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)	-2.47	-3.52	-59.94	4	4	0	88	153.118	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.47	-3.9	-41.81	3	4	-1	86	152.11	3	↓ MOL2 SDF SMILES Flexibase

13742956

Analogs

22112695
13742954
13742955

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Popular Name: CGP-34938 CGP-34938

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Vendors

Molport BB
- MolPort-003-824-912

Activity (Go SEA)

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	152	1.06	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	152	1.06	Binding ≤ 10μM
GBRR1-1-E	GABA Receptor Rho-1 Subunit (cluster #1 Of 4), Eukaryotic	Eukaryotes	5400	0.82	Functional ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	600	0.97	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)	-2.47	-3.17	-59.16	4	4	0	88	153.118	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.47	-3.55	-41.57	3	4	-1	86	152.11	3	↓ MOL2 SDF SMILES Flexibase

20112625

Analogs

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Popular Name: DNC014559 DNC014559

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Vendors

Activity (Go SEA)

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	1050	0.93	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1050	0.93	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)	-2.20	-4.12	-57.39	4	4	0	88	153.118	4	↓ MOL2 SDF SMILES Flexibase

20112628

Analogs

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Popular Name: DNC014559 DNC014559

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Vendors

Activity (Go SEA)

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	1050	0.93	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1050	0.93	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)	-2.20	-4.12	-57.38	4	4	0	88	153.118	4	↓ MOL2 SDF SMILES Flexibase

13742936

Analogs

13742937

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Popular Name: DNC014560 DNC014560

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Vendors

American Custom Chemicals Corp.
- BRS0000435

Activity (Go SEA)

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	89	0.99	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	89	0.99	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)	-1.00	-0.4	-52.87	3	3	0	68	173.099	4	↓ MOL2 SDF SMILES Flexibase

13742937

Analogs

13742936

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Popular Name: DNC014560 DNC014560

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Vendors

American Custom Chemicals Corp.
- BRS0000435

Activity (Go SEA)

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	89	0.99	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	89	0.99	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)	-1.00	-0.4	-52.84	3	3	0	68	173.099	4	↓ MOL2 SDF SMILES Flexibase

402642

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Chembo Pharma
- KB-239993

Activity (Go SEA)

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	5600	0.41	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	5600	0.41	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)	-0.97	-1.58	-53.03	3	5	0	90	249.266	5	↓ MOL2 SDF SMILES Flexibase

402643

Analogs

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Vendors

Chembo Pharma
- KB-239993

Activity (Go SEA)

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	5600	0.41	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	5600	0.41	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)	-0.97	-1.58	-68.47	3	5	0	90	249.266	5	↓ MOL2 SDF SMILES Flexibase

19737048

Analogs

1720869

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And 24 More

Activity (Go SEA)

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	6810	0.90	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	6810	0.90	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)	-1.87	-2.45	-50.53	4	4	0	88	139.091	3	↓ MOL2 SDF SMILES Flexibase

6093177

Analogs

6093247

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Vendors

And 13 More

Activity (Go SEA)

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

29330911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CGP-35348 CGP-35348

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Vendors

Activity (Go SEA)

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	2500	0.56	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2500	0.56	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

29330916

Analogs

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Popular Name: CGP-35348 CGP-35348

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Vendors

Activity (Go SEA)

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	2500	0.56	Binding ≤ 10μM
GABR2-1-E	GABA-B Receptor 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2500	0.56	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)	-0.87	0.51	-51.57	3	5	0	86	225.225	8	↓ MOL2 SDF SMILES Flexibase

13823784

Analogs

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Popular Name: DNC014692 DNC014692

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Vendors

Activity (Go SEA)

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

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	3.82	-51.71	3	3	0	68	213.664	4	↓ MOL2 SDF SMILES Flexibase

13823786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC014692 DNC014692

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Vendors

Activity (Go SEA)

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

Parameters Provided:

target.name = GABR2-1-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 'GABR2-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=GABR2-1-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": "GABR2-1-E",        
        "target.type": "B10"        

    });
</script>