ZINC 12

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ZINC Item

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13676087

Analogs

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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	99	0.41	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	50	0.43	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	50	0.43	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	50	0.43	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	50	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)	2.47	7.88	-66.62	1	6	0	75	338.392	2	↓ MOL2 SDF SMILES Flexibase

13676089

Analogs

34600443

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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	8	0.47	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	23	0.45	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	23	0.45	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	23	0.45	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	23	0.45	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	8.35	-41.46	1	5	1	52	341.391	2	↓ MOL2 SDF SMILES Flexibase

13676090

Analogs

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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
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	4	0.49	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	1250	0.34	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	1	0.53	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	1	0.53	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	4	0.49	Functional ≤ 10μM
GRM5_HUMAN	P41594	Metabotropic Glutamate Receptor 5, Human	1250	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)	3.33	8.91	-41.08	1	5	1	52	402.297	2	↓ MOL2 SDF SMILES Flexibase

13676092

Analogs

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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	8	0.42	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	32	0.39	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	31.9889511	0.39	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	31.9889511	0.39	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	32	0.39	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)	3.42	9.29	-42.13	1	5	1	52	391.398	3	↓ MOL2 SDF SMILES Flexibase

13676093

Analogs

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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	0.47	Binding ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	2440	0.31	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	17	0.44	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	16.9824365	0.44	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	16.9824365	0.44	Binding ≤ 10μM
GRM5_RAT	P31424	Metabotropic Glutamate Receptor 5, Rat	2440	0.31	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	17	0.44	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)	3.56	9.96	-40.68	1	5	1	52	351.455	2	↓ MOL2 SDF SMILES Flexibase

13676095

Analogs

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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	45	0.41	Binding ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	2300	0.32	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	45	0.41	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	11	0.45	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	11	0.45	Binding ≤ 10μM
GRM5_RAT	P31424	Metabotropic Glutamate Receptor 5, Rat	2300	0.32	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	45	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)	4.02	9.61	-40.74	1	5	1	52	392.291	2	↓ MOL2 SDF SMILES Flexibase

13676100

Analogs

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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	251	0.37	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	251	0.37	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	142	0.38	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	142	0.38	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	251	0.37	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)	3.60	9.76	-40.04	1	5	1	52	351.455	3	↓ MOL2 SDF SMILES Flexibase

13676102

Analogs

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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	9	0.45	Binding ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	613	0.35	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	9	0.45	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	6	0.46	Binding ≤ 1μM
GRM5_RAT	P31424	Metabotropic Glutamate Receptor 5, Rat	613	0.35	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	6	0.46	Binding ≤ 10μM
GRM5_RAT	P31424	Metabotropic Glutamate Receptor 5, Rat	613	0.35	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	9	0.45	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)	3.63	9.73	-40.74	1	5	1	52	351.455	3	↓ MOL2 SDF SMILES Flexibase

13676104

Analogs

34600443
184798

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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	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

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	2.99916252	0.48	Binding ≤ 1μM
GRM5_RAT	P31424	Metabotropic Glutamate Receptor 5, Rat	194	0.38	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	2.99916252	0.48	Binding ≤ 10μM
GRM5_RAT	P31424	Metabotropic Glutamate Receptor 5, Rat	194	0.38	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	3	0.48	Functional ≤ 10μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	5	0.46	Functional ≤ 10μM
GRM5_HUMAN	P41594	Metabotropic Glutamate Receptor 5, Human	442	0.36	Functional ≤ 10μM
GRM5_RAT	P31424	Metabotropic Glutamate Receptor 5, Rat	1330	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)	3.44	9.72	-40.51	1	5	1	52	351.455	3	↓ MOL2 SDF SMILES Flexibase

13676106

Analogs

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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	180	0.36	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	180	0.36	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	2040	0.31	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	179.887092	0.36	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	179.887092	0.36	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	180	0.36	Functional ≤ 10μM
GRM5_HUMAN	P41594	Metabotropic Glutamate Receptor 5, Human	2040	0.31	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)	3.83	10.5	-40.45	1	5	1	52	365.482	4	↓ MOL2 SDF SMILES Flexibase

13676108

Analogs

34600443
184798

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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	407	0.34	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	407	0.34	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	3540	0.29	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	407	0.34	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	407	0.34	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	407	0.34	Functional ≤ 10μM
GRM5_HUMAN	P41594	Metabotropic Glutamate Receptor 5, Human	3540	0.29	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)	4.04	10.2	-40.45	1	5	1	52	365.482	3	↓ MOL2 SDF SMILES Flexibase

13676110

Analogs

184798

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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	8500	0.26	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	8500	0.26	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	8491.80475	0.26	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	8500	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)	4.23	10.6	-40.35	1	5	1	52	379.509	3	↓ MOL2 SDF SMILES Flexibase

13676153

Analogs

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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	44	0.40	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	44	0.40	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	344	0.35	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	43.9541615	0.40	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	43.9541615	0.40	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	44	0.40	Functional ≤ 10μM
GRM5_HUMAN	P41594	Metabotropic Glutamate Receptor 5, Human	344	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)	3.53	9.61	-40.19	1	5	1	52	365.482	3	↓ MOL2 SDF SMILES Flexibase

13676155

Analogs

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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	84	0.37	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	84	0.37	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	4530	0.28	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	83.9459987	0.37	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	83.9459987	0.37	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	84	0.37	Functional ≤ 10μM
GRM5_HUMAN	P41594	Metabotropic Glutamate Receptor 5, Human	4530	0.28	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)	4.10	10.64	-39.64	1	5	1	52	379.509	4	↓ MOL2 SDF SMILES Flexibase

13676157

Analogs

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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	101	0.34	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	101	0.34	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	901	0.29	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	100.925289	0.34	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	100.925289	0.34	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	101	0.34	Functional ≤ 10μM
GRM5_HUMAN	P41594	Metabotropic Glutamate Receptor 5, Human	901	0.29	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)	5.16	12.16	-39.37	1	5	1	52	407.563	6	↓ MOL2 SDF SMILES Flexibase

13676169

Analogs

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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	37	0.40	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	37	0.40	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	2570	0.30	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	36.982818	0.40	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	36.982818	0.40	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	37	0.40	Functional ≤ 10μM
GRM5_HUMAN	P41594	Metabotropic Glutamate Receptor 5, Human	2570	0.30	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)	3.82	10.47	-40.44	1	5	1	52	365.482	4	↓ MOL2 SDF SMILES Flexibase

13676171

Analogs

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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	71	0.36	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	71	0.36	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	70.9577768	0.36	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	70.9577768	0.36	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	71	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)	3.42	9.56	-42.35	1	6	1	62	395.508	6	↓ MOL2 SDF SMILES Flexibase

13676177

Analogs

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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	49	0.39	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	49	0.39	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	2100	0.31	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	42.6579519	0.40	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	42.6579519	0.40	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	49	0.39	Functional ≤ 10μM
GRM5_HUMAN	P41594	Metabotropic Glutamate Receptor 5, Human	2100	0.31	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)	2.98	9.55	-20.22	1	6	0	84	361.43	4	↓ MOL2 SDF SMILES Flexibase

13676179

Analogs

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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	99	0.35	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	99	0.35	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	99	0.35	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	99	0.35	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	99	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)	4.12	10.48	-43.82	2	5	1	61	405.425	5	↓ MOL2 SDF SMILES Flexibase

13676181

Analogs

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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	98	0.41	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	98	0.41	Functional ≤ 10μM
GRM5-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 5), Eukaryotic	Eukaryotes	5960	0.30	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	97.9489985	0.41	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	97.9489985	0.41	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	98	0.41	Functional ≤ 10μM
GRM5_HUMAN	P41594	Metabotropic Glutamate Receptor 5, Human	5960	0.30	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)	3.19	9.24	-37.62	2	5	1	61	337.428	3	↓ MOL2 SDF SMILES Flexibase

13676183

Analogs

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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	306	0.35	Binding ≤ 10μM
GRM1-1-E	Metabotropic Glutamate Receptor 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	306	0.35	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	306	0.35	Binding ≤ 1μM
GRM1_RAT	P23385	Metabotropic Glutamate Receptor 1, Rat	306	0.35	Binding ≤ 10μM
GRM1_HUMAN	Q13255	Metabotropic Glutamate Receptor 1, Human	306	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)	3.40	11.49	-18.11	0	6	0	65	366.446	3	↓ MOL2 SDF SMILES Flexibase

2785883

Analogs

6787875
6788035
2749209

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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)	3.83	2.2	-17.84	0	7	0	93	388.355	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 223126
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 223126 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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        "ring.id": "223126"        

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Structural Results Found: (before additional filtering)

SQL Query Was

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