ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

598626

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	490	0.34	Binding ≤ 10μM
LOX5-1-E	Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic	Eukaryotes	2700	0.30	Binding ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	120	0.37	Binding ≤ 10μM
MK12-1-E	MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	120	0.37	Binding ≤ 10μM
MK13-1-E	MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	120	0.37	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	120	0.37	Binding ≤ 10μM
LOX5-1-E	Arachidonate 5-lipoxygenase (cluster #1 Of 7), Eukaryotic	Eukaryotes	580	0.34	Functional ≤ 10μM
Z100081-1-O	PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other	Other	580	0.34	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)	4.70	11.23	-8.24	1	3	0	42	361.445	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.70	11.67	-35.88	2	3	1	43	362.453	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.70	11.66	-35.83	2	3	1	43	362.453	4	↓ MOL2 SDF SMILES Flexibase

8536493

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Vendors

Molport
- MolPort-020-313-401
KeyOrganics Bioactives
- ES-0029

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	2000	0.32	Binding ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	70	0.40	Binding ≤ 10μM
MK12-1-E	MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	70	0.40	Binding ≤ 10μM
MK13-1-E	MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	70	0.40	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	70	0.40	Binding ≤ 10μM
LOX5-1-E	Arachidonate 5-lipoxygenase (cluster #1 Of 7), Eukaryotic	Eukaryotes	50	0.41	Functional ≤ 10μM
Z100081-1-O	PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other	Other	50	0.41	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)	3.34	8.53	-32.51	4	4	1	69	331.374	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.34	8.52	-32.39	4	4	1	69	331.374	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.34	8.09	-8.76	3	4	0	68	330.366	3	↓ MOL2 SDF SMILES Flexibase

2745030

Analogs

6119130
6122081

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And 8 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	181	0.39	Binding ≤ 10μM
GLR-1-E	Glucagon Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	129	0.40	Functional ≤ 10μM
Z81011-1-O	Human Cell Lines (cluster #1 Of 3), Other	Other	129	0.40	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)	6.02	10.55	-5.86	1	3	0	53	346.54	6	↓ MOL2 SDF SMILES Flexibase

2745031

Analogs

6119130
6122081

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And 8 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	181	0.39	Binding ≤ 10μM
GLR-1-E	Glucagon Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	129	0.40	Functional ≤ 10μM
Z81011-1-O	Human Cell Lines (cluster #1 Of 3), Other	Other	129	0.40	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)	6.02	10.55	-5.86	1	3	0	53	346.54	6	↓ MOL2 SDF SMILES Flexibase

13860561

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Vendors

Chembo Pharma

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	8000	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)	6.03	7.59	-5.02	2	3	0	53	359.485	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.03	8.34	-40.85	1	3	-1	56	358.477	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.03	7.9	-26.87	3	3	1	55	360.493	6	↓ MOL2 SDF SMILES Flexibase

13860562

Analogs

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Vendors

Chembo Pharma
- KB-71112
- KB-71109

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	8000	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)	6.03	7.78	-5.23	2	3	0	53	359.485	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.03	8.09	-27.02	3	3	1	55	360.493	6	↓ MOL2 SDF SMILES Flexibase

13860563

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Chembo Pharma
- KB-71105
- KB-71104

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	8000	0.25	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)	7.10	9.39	-4.94	2	3	0	53	387.539	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	7.10	9.66	-26.95	3	3	1	55	388.547	8	↓ MOL2 SDF SMILES Flexibase

13860564

Analogs

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Vendors

Chembo Pharma
- KB-71108
- KB-71104

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	8000	0.25	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)	7.10	9.23	-6.13	2	3	0	53	387.539	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	7.10	9.54	-28.3	3	3	1	55	388.547	8	↓ MOL2 SDF SMILES Flexibase

37866152

Analogs

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Popular Name: L-168,049 L-168,049

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	37	0.36	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	1440	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)	6.98	13.52	-6.47	1	3	0	38	467.794	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.98	14	-39.15	2	3	1	39	468.802	6	↓ MOL2 SDF SMILES Flexibase

671045

Analogs

671047
5901963
5917571
5917584
5917588

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And 5 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	870	0.34	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)	5.09	-1.72	-10.21	3	4	0	72	364.555	7	↓ MOL2 SDF SMILES Flexibase

671047

Analogs

5901963
5917571
5917584
5917588
5917599

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And 5 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	870	0.34	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)	5.09	-1.72	-10.22	3	4	0	72	364.555	7	↓ MOL2 SDF SMILES Flexibase

13437730

Analogs

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Vendors

Toronto Research Chemicals
- D455250

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	9000	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)	4.75	7.02	-5.78	1	3	0	42	331.431	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.75	7.36	-24.99	2	3	1	44	332.439	6	↓ MOL2 SDF SMILES Flexibase

3933425

Analogs

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Vendors

Chembo Pharma
- KB-81596

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GIPR-1-E	Gastric Inhibitory Polypeptide Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	990	0.22	Binding ≤ 10μM
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	648	0.23	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)	6.15	1.76	-56.97	1	6	-1	85	558.989	10	↓ MOL2 SDF SMILES Flexibase

28527382

Analogs

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Vendors

Chembo Pharma
- KB-74945

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	32	0.25	Binding ≤ 10μM
KCNH2-1-E	HERG (cluster #1 Of 5), Eukaryotic	Eukaryotes	5400	0.18	Binding ≤ 10μM
GIPR-1-E	Gastric Inhibitory Polypeptide Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	430	0.21	Functional ≤ 10μM
GLP1R-1-E	Glucagon-like Peptide Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	4600	0.18	Functional ≤ 10μM
GLR-1-E	Glucagon Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	92	0.23	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)	6.03	13.75	-49.96	1	10	-1	115	584.623	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.10	12.75	-132.63	0	10	-2	121	583.615	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.03	13.85	-13.89	2	10	0	116	585.631	8	↓ MOL2 SDF SMILES Flexibase

26575654

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	2900	0.31	Binding ≤ 10μM
MK11-1-E	MAP Kinase P38 Beta (cluster #1 Of 1), Eukaryotic	Eukaryotes	160	0.38	Binding ≤ 10μM
MK12-1-E	MAP Kinase P38 Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	160	0.38	Binding ≤ 10μM
MK13-1-E	MAP Kinase P38 Delta (cluster #1 Of 1), Eukaryotic	Eukaryotes	160	0.38	Binding ≤ 10μM
MK14-1-E	MAP Kinase P38 Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	160	0.38	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)	5.07	10.82	-9.84	1	3	0	42	394.247	3	↓ MOL2 SDF SMILES Flexibase

3779708

Analogs

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Vendors

Chembo Pharma
- KB-56077

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	4000	0.27	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	7000	0.26	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)	6.14	-0.11	-42.34	1	4	1	33	416.376	7	↓ MOL2 SDF SMILES Flexibase

13860557

Analogs

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Vendors

Chembo Pharma
- KB-71119
- KB-71118

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	5000	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)	5.64	6.87	-4.97	2	3	0	53	345.458	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.64	7.16	-26.01	3	3	1	55	346.466	5	↓ MOL2 SDF SMILES Flexibase

13860558

Analogs

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Vendors

Chembo Pharma
- KB-71122
- KB-71118

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	5000	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)	5.64	7.09	-4.72	2	3	0	53	345.458	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.64	7.41	-25.93	3	3	1	55	346.466	5	↓ MOL2 SDF SMILES Flexibase

27075479

Analogs

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Vendors

Chembo Pharma

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	28	0.39	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)	6.59	8.62	-4.97	2	3	0	53	373.512	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.59	9.16	-44.67	1	3	-1	56	372.504	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.59	8.75	-28.88	3	3	1	55	374.52	7	↓ MOL2 SDF SMILES Flexibase

27075486

Analogs

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Vendors

Chembo Pharma
- KB-71117

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	28	0.39	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)	6.59	8.17	-9.17	2	3	0	53	373.512	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.59	8.96	-47.71	1	3	-1	56	372.504	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.59	8.52	-29.05	3	3	1	55	374.52	7	↓ MOL2 SDF SMILES Flexibase

13437732

Analogs

22063040
44126299
629397

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-2-E	Glucagon Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	9500	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)	4.63	8.1	-7.83	1	4	0	59	345.414	6	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

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