ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	736	0.45	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	713	0.45	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	96	0.52	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)	3.61	9.46	-5.82	1	3	0	38	318.149	2	↓ MOL2 SDF SMILES Flexibase

122236

Analogs

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Popular Name: DNC014286 DNC014286

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Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	116	0.51	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	398	0.47	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	256	0.49	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)	5.09	9.9	-5.54	1	3	0	38	334.604	2	↓ MOL2 SDF SMILES Flexibase

12545036

Analogs

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Popular Name: DNC006723 DNC006723

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Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	330	0.50	Binding ≤ 10μM
GRM5-2-E	Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic	Eukaryotes	5330	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)	1.71	7.18	-18.33	1	4	0	66	237.262	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.71	6.98	-36.17	2	4	1	67	238.27	2	↓ MOL2 SDF SMILES Flexibase

36159431

Analogs

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Popular Name: DNC006721 DNC006721

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Vendors

Otava (Virtual)
- 6349622

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	1530	0.48	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	7.11	-13.29	1	3	0	42	267.115	2	↓ MOL2 SDF SMILES Flexibase

13234467

Analogs

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Popular Name: DNC006724 DNC006724

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	1080	0.49	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.04	7.88	-11.33	1	3	0	42	338.148	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.04	7.68	-27.1	2	3	1	43	339.156	2	↓ MOL2 SDF SMILES Flexibase

477397

Analogs

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Popular Name: DNC006726 DNC006726

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And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	5490	0.46	Binding ≤ 10μM
HXK4-1-E	Hexokinase Type IV (cluster #1 Of 1), Eukaryotic	Eukaryotes	6300	0.46	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)	2.76	-0.78	-7.48	1	3	0	41	252.726	2	↓ MOL2 SDF SMILES Flexibase

579315

Analogs

6234298
23082096
496676

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Popular Name: DNC006725 DNC006725

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Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	1840	0.47	Binding ≤ 10μM
GRM5-2-E	Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic	Eukaryotes	5900	0.43	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)	2.41	7.45	-14.22	1	3	0	42	226.279	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.41	7.25	-27.83	2	3	1	43	227.287	2	↓ MOL2 SDF SMILES Flexibase

184798

Analogs

13676104

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And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	5	0.48	Binding ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	500	0.37	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	5	0.48	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	890	0.35	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)	2.97	10.48	-39.44	1	5	1	52	337.428	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.97	10.05	-14.15	0	5	0	51	336.42	2	↓ MOL2 SDF SMILES Flexibase

756260

Analogs

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And 1 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	4	0.49	Binding ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	1030	0.35	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	16	0.45	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	1810	0.33	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)	3.20	-1.46	-41.13	1	5	1	52	357.846	2	↓ MOL2 SDF SMILES Flexibase

1436

Analogs

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Popular Name: FENOBAM FENOBAM

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And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	61	0.56	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	7	0.63	Functional ≤ 10μM
GRM5-2-E	Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic	Eukaryotes	38	0.58	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)	1.41	2.91	-51.9	1	6	-1	80	265.68	1	↓ MOL2 SDF SMILES Flexibase

28900312

Analogs

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Vendors

Otava (Virtual)
- 5628542

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	3070	0.48	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)	0.14	5.26	-13.55	1	5	0	60	216.244	2	↓ MOL2 SDF SMILES Flexibase

3962980

Analogs

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Popular Name: DNC005202 DNC005202

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Vendors

American Custom Chemicals Corp.
- CHM0073018
Chembo Pharma
- KB-233258

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	190	0.50	Binding ≤ 10μM
GRM5-2-E	Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic	Eukaryotes	73	0.53	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)	1.50	2.65	-13.24	0	6	0	80	248.249	2	↓ MOL2 SDF SMILES Flexibase

138486

Analogs

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Popular Name: DNC006722 DNC006722

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Vendors

And 12 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	650	0.51	Binding ≤ 10μM
GRM5-2-E	Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic	Eukaryotes	5480	0.43	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)	2.77	-0.43	-11.66	1	3	0	41	291.148	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.77	-0.78	-27.4	2	3	1	43	292.156	2	↓ MOL2 SDF SMILES Flexibase

361715

Analogs

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Popular Name: DNC013060 DNC013060

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And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	1730	0.47	Binding ≤ 10μM
GRM5-2-E	Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic	Eukaryotes	1870	0.47	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)	2.64	0.18	-11.79	1	3	0	42	246.697	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.64	-0.17	-27.49	2	3	1	43	247.705	2	↓ MOL2 SDF SMILES Flexibase

13676104

Analogs

184798

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Vendors

ChemMol
- 44019627

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	5	0.46	Binding ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	194	0.38	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	3	0.48	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	442	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)	3.44	9.72	-40.51	1	5	1	52	351.455	3	↓ MOL2 SDF SMILES Flexibase

64559527

Analogs

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Vendors

AKOS (make-on-demand)
- AKOS007284997

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	350	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)	3.51	10.45	-13.88	0	4	0	33	344.842	5	↓ MOL2 SDF SMILES Flexibase

28123047

Analogs

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Vendors

Active BioPharma
- 2235
ChemMol
- 97901066

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	134	0.48	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)	1.10	2.46	-8.98	3	7	0	97	292.73	3	↓ MOL2 SDF SMILES Flexibase

28123072

Analogs

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Vendors

Ark Pharm Building Blocks
- AK156542

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	254	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)	1.26	3.05	-10.37	1	5	0	68	234.646	2	↓ MOL2 SDF SMILES Flexibase

28571048

Analogs

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Popular Name: DNC006422 DNC006422

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Vendors

Enamine BB Make on Demand
- BBV-49065674

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	5	0.65	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)	4.07	6.52	-5.15	0	3	0	46	279.126	3	↓ MOL2 SDF SMILES Flexibase

28880866

Analogs

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Vendors

Otava (Virtual)
- 4494299

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	3900	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)	2.57	3.92	-20.54	3	5	0	78	287.706	2	↓ MOL2 SDF SMILES Flexibase

28880926

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	3900	0.40	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.66	7.18	-12.56	2	3	0	45	270.719	2	↓ MOL2 SDF SMILES Flexibase

22243236

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	3536	0.48	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)	0.07	1.74	-11.76	3	6	0	94	215.216	2	↓ MOL2 SDF SMILES Flexibase

25046105

Analogs

36882902

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	7580	0.40	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)	2.24	6.89	-13.83	1	3	0	42	248.232	2	↓ MOL2 SDF SMILES Flexibase

3879105

Analogs

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And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	7000	0.33	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	0.87	-14.74	1	3	0	41	288.35	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.95	0.51	-30.04	2	3	1	46	289.358	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = GRM5-1-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 'GRM5-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=GRM5-1-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": "GRM5-1-E",        
        "target.type": "B10"        

    });
</script>