ZINC 12

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	8990	0.27	Binding ≤ 10μM
GRM2-1-E	Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	200	0.36	Binding ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.46	Binding ≤ 10μM
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	2650	0.30	Binding ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1140	0.32	Binding ≤ 10μM
GRM7-1-E	Metabotropic Glutamate Receptor 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	110	0.37	Binding ≤ 10μM
GRM1-4-E	Metabotropic Glutamate Receptor 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	7800	0.28	Functional ≤ 10μM
GRM2-2-E	Metabotropic Glutamate Receptor 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	23	0.41	Functional ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	14	0.42	Functional ≤ 10μM
GRM5-2-E	Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic	Eukaryotes	8200	0.27	Functional ≤ 10μM
GRM7-2-E	Metabotropic Glutamate Receptor 7 (cluster #2 Of 2), Eukaryotic	Eukaryotes	990	0.32	Functional ≤ 10μM
GRM8-1-E	Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	170	0.36	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 5), Other	Other	10	0.43	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)	0.75	10.29	-80.49	3	6	-1	117	352.366	5	↓ MOL2 SDF SMILES Flexibase

3946640

Analogs

7999025

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Popular Name: PHCCC PHCCC

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Vendors

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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	3000	0.35	Binding ≤ 10μM
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	5000	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)	2.87	4.63	-11.22	2	5	0	71	294.31	2	↓ MOL2 SDF SMILES Flexibase

673785

Analogs

1155058
26026886

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	5960	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)	4.05	6.75	-13.33	2	6	0	88	384.457	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.05	6.93	-48.18	1	6	-1	90	383.449	5	↓ MOL2 SDF SMILES Flexibase

14627207

Analogs

31873315

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	372	0.36	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)	2.12	5.38	-13.97	1	6	0	79	359.451	4	↓ MOL2 SDF SMILES Flexibase

58649939

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: VU 0364439 VU 0364439

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	20	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	5.88	-49.61	1	6	-1	90	421.285	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.66	5.43	-14.61	2	6	0	88	422.293	5	↓ MOL2 SDF SMILES Flexibase

813644

Analogs

4487803

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	1170	0.32	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)	4.23	7.45	-13.3	2	5	0	67	386.86	5	↓ MOL2 SDF SMILES Flexibase

813647

Analogs

1218061

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	977	0.32	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)	3.59	6.47	-16.84	2	6	0	81	370.792	5	↓ MOL2 SDF SMILES Flexibase

1141333

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	1440	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)	4.52	7.18	-13.82	2	6	0	81	449.688	5	↓ MOL2 SDF SMILES Flexibase

9627412

Analogs

9627420
9627436
9627441
16837783
74298

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	4600	0.31	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)	3.98	10.49	-8.82	0	5	0	47	321.428	2	↓ MOL2 SDF SMILES Flexibase

9627420

Analogs

9627436
9627441
16837783
9627412

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	4600	0.31	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)	3.98	11.11	-8.83	0	5	0	47	321.428	2	↓ MOL2 SDF SMILES Flexibase

3995850

Analogs

3995852
2575698

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Vendors

American Custom Chemicals Corp.
- CHM0073436
Tocris
- 1165

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	7000	0.48	Binding ≤ 10μM
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7200	0.48	Functional ≤ 10μM
GRM8-1-E	Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	5100	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)	-3.32	3.1	-167.53	3	7	-2	148	215.161	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-3.32	1.36	-87.47	4	7	-1	145	216.169	3	↓ MOL2 SDF SMILES Flexibase

3995852

Analogs

3995850
2575698

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Vendors

American Custom Chemicals Corp.
- CHM0073436

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	9000	0.47	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)	-3.32	3.09	-141.8	3	7	-2	148	215.161	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-3.32	1.23	-76.21	4	7	-1	145	216.169	3	↓ MOL2 SDF SMILES Flexibase

194811

Analogs

194813
194814
194815

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	3000	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)	5.77	0.86	-11.7	1	3	0	32	342.442	3	↓ MOL2 SDF SMILES Flexibase

194813

Analogs

194814
194815
194811

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	3000	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)	5.77	0.71	-9.84	1	3	0	32	342.442	3	↓ MOL2 SDF SMILES Flexibase

194814

Analogs

194815
194811

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	3000	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)	5.77	0.71	-9.88	1	3	0	32	342.442	3	↓ MOL2 SDF SMILES Flexibase

194815

Analogs

194811

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	3000	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)	5.77	0.86	-11.63	1	3	0	32	342.442	3	↓ MOL2 SDF SMILES Flexibase

529400

Analogs

529402
552485
552486
18036823

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Popular Name: DNC013928 DNC013928

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	4600	0.31	Binding ≤ 10μM
GRM5-2-E	Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic	Eukaryotes	5000	0.31	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	2600	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)	3.77	12.34	-8.4	0	5	0	47	321.428	2	↓ MOL2 SDF SMILES Flexibase

529402

Analogs

552485
552486
18036823
529400

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Popular Name: DNC013928 DNC013928

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	4600	0.31	Binding ≤ 10μM
GRM5-2-E	Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic	Eukaryotes	5000	0.31	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	2600	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)	3.77	12.32	-8.39	0	5	0	47	321.428	2	↓ MOL2 SDF SMILES Flexibase

362857

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	4100	0.44	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)	4.30	-0.53	-6.4	1	3	0	42	334.984	2	↓ MOL2 SDF SMILES Flexibase

6328639

Analogs

6328631

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	2700	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)	3.31	-0.28	-43.29	1	4	-1	69	313.16	3	↓ MOL2 SDF SMILES Flexibase

461742

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-2-E	Metabotropic Glutamate Receptor 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	750	0.43	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)	3.80	-0.5	-58.93	1	4	-1	69	315.176	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = GRM4-2-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'GRM4-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=GRM4-2-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": "GRM4-2-E",        
        "target.type": "B10"        

    });
</script>