ZINC 12

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Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

3869280

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

And 19 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	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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And 10 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	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

1482113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: L-Glutamic acid L-Glutamic acid

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Vendors

And 145 More

Activity (Go SEA)

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

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

19632748

Analogs

39268864
39268865

Draw Identity 99% 90% 80% 70%

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Vendors

And 10 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	330	0.82	Binding ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	280	0.83	Binding ≤ 10μM
GRM8-1-E	Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	5	1.06	Binding ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1000	0.76	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	-1.72	-66.73	4	6	-1	128	182.092	4	↓ MOL2 SDF SMILES Flexibase

895124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: D-Glutamic acid D-Glutamic acid

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Vendors

And 120 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MURI-2-B	Glutamate Racemase (cluster #2 Of 2), Bacterial	Bacteria	5800	0.73	Binding ≤ 10μM
GRIA1-3-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #3 Of 4), Eukaryotic	Eukaryotes	1362	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	400	0.90	Binding ≤ 10μM
GRIK5-2-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #2 Of 2), Eukaryotic	Eukaryotes	400	0.90	Binding ≤ 10μM
GRM1-3-E	Metabotropic Glutamate Receptor 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	4900	0.74	Binding ≤ 10μM
GRM2-1-E	Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	290	0.92	Binding ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.80	Binding ≤ 10μM
GRM4-3-E	Metabotropic Glutamate Receptor 4 (cluster #3 Of 3), Eukaryotic	Eukaryotes	9800	0.70	Binding ≤ 10μM
GRM5-4-E	Metabotropic Glutamate Receptor 5 (cluster #4 Of 5), Eukaryotic	Eukaryotes	3100	0.77	Binding ≤ 10μM
GRM6-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4900	0.74	Binding ≤ 10μM
NMDE1-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	200	0.94	Binding ≤ 10μM
NMDE2-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic	Eukaryotes	200	0.94	Binding ≤ 10μM
NMDE3-3-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic	Eukaryotes	200	0.94	Binding ≤ 10μM
NMDE4-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	200	0.94	Binding ≤ 10μM
GRIA1-3-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	214	0.93	Functional ≤ 10μM
GRIA2-3-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	214	0.93	Functional ≤ 10μM
GRIA3-2-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	214	0.93	Functional ≤ 10μM
GRIA4-2-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #2 Of 3), Eukaryotic	Eukaryotes	214	0.93	Functional ≤ 10μM
GRM1-4-E	Metabotropic Glutamate Receptor 1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	1050	0.84	Functional ≤ 10μM
GRM8-1-E	Metabotropic Glutamate Receptor 8 (cluster #1 Of 2), Eukaryotic	Eukaryotes	8000	0.71	Functional ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	80	0.99	Binding ≤ 10μM
Z50597-7-O	Rattus Norvegicus (cluster #7 Of 12), Other	Other	2500	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)	-3.25	1.72	-74	3	5	-1	108	146.122	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = GRM4-3-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 'GRM4-3-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=GRM4-3-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results

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        "target.name": "GRM4-3-E",        
        "target.type": "B10"        

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