ZINC 12

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Query Details

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ZINC Item

Suppliers, Protomers, & Similar Substances

58593499

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1000	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)	2.43	6.99	-7.15	2	3	0	52	197.241	2	↓ 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

66076277

Analogs

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Vendors

American Custom Chemicals Corp.
- HCH0316618
Chembo Pharma
- KB-69606

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	517	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)	3.78	7.94	-13.36	2	5	0	71	386.238	4	↓ MOL2 SDF SMILES Flexibase

3869280

Analogs

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And 19 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-3-E	Metabotropic Glutamate Receptor 4 (cluster #3 Of 3), Eukaryotic	Eukaryotes	1300	0.75	Binding ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2700	0.71	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)	-4.29	-1.1	-142.53	3	7	-2	140	183.056	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-4.29	-2.27	-64.66	4	7	-1	137	184.064	4	↓ MOL2 SDF SMILES Flexibase

19632743

Analogs

39268864
39268865

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-3-E	Metabotropic Glutamate Receptor 4 (cluster #3 Of 3), Eukaryotic	Eukaryotes	330	0.82	Binding ≤ 10μM
GRM4-3-E	Metabotropic Glutamate Receptor 4 (cluster #3 Of 3), Eukaryotic	Eukaryotes	500	0.80	Binding ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	280	0.83	Binding ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	900	0.77	Binding ≤ 10μM
GRM8-1-E	Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	5	1.06	Binding ≤ 10μM
GRM8-1-E	Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1900	0.73	Binding ≤ 10μM
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	910	0.77	Functional ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic	Eukaryotes	55	0.92	Functional ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1000	0.76	Functional ≤ 10μM
GRM8-2-E	Metabotropic Glutamate Receptor 8 (cluster #2 Of 2), Eukaryotic	Eukaryotes	60	0.92	Functional ≤ 10μM
Z50597-3-O	Rattus Norvegicus (cluster #3 Of 5), Other	Other	1500	0.74	Binding ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	2500	0.71	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)	-4.02	-1.71	-66.95	4	6	-1	128	182.092	4	↓ MOL2 SDF SMILES Flexibase

3826602

Analogs

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Popular Name: LY-341495 LY-341495

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Vendors

Tocris
- 1322

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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	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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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

362766

Analogs

2910503
5269327
33816974
33816975

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Popular Name: N/A N/A

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1100	0.52	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)	2.31	-0.67	-9.5	1	3	0	42	232.67	2	↓ MOL2 SDF SMILES Flexibase

171065

Analogs

24218367
36737195

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	500	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)	1.55	3.45	-11.97	1	5	0	60	242.234	2	↓ MOL2 SDF SMILES Flexibase

3326915

Analogs

33816974

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1100	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)	2.32	-0.59	-11.1	1	4	0	51	262.696	3	↓ MOL2 SDF SMILES Flexibase

43122151

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: VU 0361737 VU 0361737

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	240	0.51	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)	2.32	4.65	-8.93	1	4	0	51	262.696	3	↓ MOL2 SDF SMILES Flexibase

7306536

Analogs

37009848

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2100	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)	3.16	1.42	-7.04	1	3	0	41	300.667	3	↓ MOL2 SDF SMILES Flexibase

3157772

Analogs

24257875

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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
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1800	0.42	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)	2.53	1.65	-10.41	1	3	0	41	266.222	3	↓ MOL2 SDF SMILES Flexibase

3331176

Analogs

24266294
36737999
36738021

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And 11 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2400	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)	1.30	4	-11.08	1	5	0	60	258.277	4	↓ MOL2 SDF SMILES Flexibase

1482113

Analogs

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Popular Name: L-Glutamic acid L-Glutamic acid

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And 145 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA3R-6-E	Adenosine Receptor A3 (cluster #6 Of 6), Eukaryotic	Eukaryotes	613	0.87	Binding ≤ 10μM
EAA3-2-E	Excitatory Amino Acid Transporter 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	51	1.02	Binding ≤ 10μM
GRIA1-3-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #3 Of 4), Eukaryotic	Eukaryotes	1360	0.82	Binding ≤ 10μM
GRIA2-3-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	940	0.84	Binding ≤ 10μM
GRIA3-3-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	500	0.88	Binding ≤ 10μM
GRIA4-3-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #3 Of 5), Eukaryotic	Eukaryotes	868	0.85	Binding ≤ 10μM
GRIK1-3-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	701	0.86	Binding ≤ 10μM
GRIK2-2-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	1106	0.83	Binding ≤ 10μM
GRIK3-2-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #2 Of 3), Eukaryotic	Eukaryotes	789	0.85	Binding ≤ 10μM
GRIK4-2-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #2 Of 2), Eukaryotic	Eukaryotes	700	0.86	Binding ≤ 10μM
GRIK5-2-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #2 Of 2), Eukaryotic	Eukaryotes	700	0.86	Binding ≤ 10μM
GRM1-3-E	Metabotropic Glutamate Receptor 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	570	0.87	Binding ≤ 10μM
GRM2-1-E	Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7400	0.72	Binding ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3000	0.77	Binding ≤ 10μM
GRM4-3-E	Metabotropic Glutamate Receptor 4 (cluster #3 Of 3), Eukaryotic	Eukaryotes	2400	0.79	Binding ≤ 10μM
GRM5-4-E	Metabotropic Glutamate Receptor 5 (cluster #4 Of 5), Eukaryotic	Eukaryotes	4100	0.75	Binding ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7600	0.72	Binding ≤ 10μM
GRM8-1-E	Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3400	0.77	Binding ≤ 10μM
NMDZ1-4-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic	Eukaryotes	450	0.89	Binding ≤ 10μM
GRIA1-3-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	6160	0.73	Functional ≤ 10μM
GRIA2-3-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	6200	0.73	Functional ≤ 10μM
GRIA3-2-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3660	0.76	Functional ≤ 10μM
GRM1-4-E	Metabotropic Glutamate Receptor 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	10000	0.70	Functional ≤ 10μM
GRM2-1-E	Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	8500	0.71	Functional ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9000	0.71	Functional ≤ 10μM
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	6100	0.73	Functional ≤ 10μM
GRM5-5-E	Metabotropic Glutamate Receptor 5 (cluster #5 Of 5), Eukaryotic	Eukaryotes	4900	0.74	Functional ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7600	0.72	Functional ≤ 10μM
GRM8-1-E	Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9500	0.70	Functional ≤ 10μM
NMDE1-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1800	0.80	Functional ≤ 10μM
NMDZ1-1-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1800	0.80	Functional ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	870	0.85	Binding ≤ 10μM
Z50597-3-O	Rattus Norvegicus (cluster #3 Of 5), Other	Other	170	0.95	Binding ≤ 10μM
Z50597-7-O	Rattus Norvegicus (cluster #7 Of 12), Other	Other	1300	0.82	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)	-3.25	1.74	-73.91	3	5	-1	108	146.122	4	↓ MOL2 SDF SMILES Flexibase

20112395

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7100	0.48	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	-0.22	-135.1	3	7	-2	148	237.148	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-4.17	-1.34	-75.98	4	7	-1	145	238.156	7	↓ MOL2 SDF SMILES Flexibase

20112397

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7100	0.48	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	-0.22	-134.09	3	7	-2	148	237.148	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-4.17	-1.34	-74.32	4	7	-1	145	238.156	7	↓ MOL2 SDF SMILES Flexibase

2507637

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: LS-193036 LS-193036

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8800	0.42	Functional ≤ 10μM
GRM6-2-E	Metabotropic Glutamate Receptor 6 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3600	0.45	Functional ≤ 10μM
GRM8-2-E	Metabotropic Glutamate Receptor 8 (cluster #2 Of 2), Eukaryotic	Eukaryotes	31	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)	-2.25	-2.79	-173.92	3	7	-2	148	237.167	4	↓ MOL2 SDF SMILES Flexibase

28711216

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

AsisChem
- ASIS-0069

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4050	0.75	Functional ≤ 10μM
GRM8-2-E	Metabotropic Glutamate Receptor 8 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1720	0.81	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)	-4.74	-1.63	-75.51	3	5	-1	108	166.093	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-4.74	-0.9	-95.14	2	5	-2	106	165.085	4	↓ MOL2 SDF SMILES Flexibase

1997134

Analogs

3995880

Draw Identity 99% 90% 80% 70%

Popular Name: (RS)-PPG (RS)-PPG

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-3-E	Metabotropic Glutamate Receptor 4 (cluster #3 Of 3), Eukaryotic	Eukaryotes	4700	0.50	Binding ≤ 10μM
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5200	0.49	Functional ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4700	0.50	Functional ≤ 10μM
GRM8-2-E	Metabotropic Glutamate Receptor 8 (cluster #2 Of 2), Eukaryotic	Eukaryotes	210	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)	-2.51	1.54	-162.59	3	6	-2	131	229.128	3	↓ MOL2 SDF SMILES Flexibase

3995880

Analogs

1997134

Draw Identity 99% 90% 80% 70%

Popular Name: (RS)-PPG (RS)-PPG

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM4-3-E	Metabotropic Glutamate Receptor 4 (cluster #3 Of 3), Eukaryotic	Eukaryotes	4700	0.50	Binding ≤ 10μM
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5200	0.49	Functional ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4700	0.50	Functional ≤ 10μM
GRM8-2-E	Metabotropic Glutamate Receptor 8 (cluster #2 Of 2), Eukaryotic	Eukaryotes	210	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)	-2.51	1.55	-163.03	3	6	-2	131	229.128	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-2.51	0.44	-76.52	4	6	-1	128	230.136	3	↓ MOL2 SDF SMILES Flexibase

2568218

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: L-CCG-I L-CCG-I

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM2-1-E	Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	380	0.82	Binding ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	454	0.81	Binding ≤ 10μM
GRM2-1-E	Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	490	0.80	Functional ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	440	0.81	Functional ≤ 10μM
GRM4-1-E	Metabotropic Glutamate Receptor 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4000	0.69	Functional ≤ 10μM
GRM5-5-E	Metabotropic Glutamate Receptor 5 (cluster #5 Of 5), Eukaryotic	Eukaryotes	3100	0.70	Functional ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic	Eukaryotes	600	0.79	Functional ≤ 10μM
GRM8-1-E	Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	400	0.81	Functional ≤ 10μM
Z50597-7-O	Rattus Norvegicus (cluster #7 Of 12), Other	Other	700	0.78	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)	-2.69	2.22	-74.96	3	5	-1	108	158.133	3	↓ MOL2 SDF SMILES Flexibase

3995850

Analogs

3995852
2575698

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

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

Parameters Provided:

annotation.name = GRM4_RAT
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'GRM4\\_RAT' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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