ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-4-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #4 Of 4), Eukaryotic	Eukaryotes	5650	0.31	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	1440	0.34	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	1660	0.34	Binding ≤ 10μM
GRIA4-5-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #5 Of 5), Eukaryotic	Eukaryotes	290	0.38	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	559	0.36	Functional ≤ 10μM
GRIA4-3-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #3 Of 3), Eukaryotic	Eukaryotes	420	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)	4.36	7.99	-14.33	1	4	0	70	342.464	6	↓ MOL2 SDF SMILES Flexibase

13473523

Analogs

8815

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Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-4-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #4 Of 4), Eukaryotic	Eukaryotes	5650	0.31	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	1440	0.34	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	1660	0.34	Binding ≤ 10μM
GRIA4-5-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #5 Of 5), Eukaryotic	Eukaryotes	290	0.38	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	559	0.36	Functional ≤ 10μM
GRIA4-3-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #3 Of 3), Eukaryotic	Eukaryotes	420	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)	4.36	7.98	-14.96	1	4	0	70	342.464	6	↓ MOL2 SDF SMILES Flexibase

4654927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC014317 DNC014317

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-4-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #4 Of 4), Eukaryotic	Eukaryotes	2800	0.25	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	130	0.31	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	130	0.31	Binding ≤ 10μM
GRIA4-5-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #5 Of 5), Eukaryotic	Eukaryotes	130	0.31	Binding ≤ 10μM
GRM1-2-E	Metabotropic Glutamate Receptor 1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	23	0.34	Functional ≤ 10μM
Z104298-1-O	Glutamate NMDA Receptor; GRIN1/GRIN2A (cluster #1 Of 1), Other	Other	2739	0.25	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)	0.03	-9.48	-198.33	10	8	3	139	438.637	18	↓ MOL2 SDF SMILES Flexibase

28476349

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Element Store BB
- b2star-115976-93-7

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-4-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #4 Of 4), Eukaryotic	Eukaryotes	70	0.32	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	70	0.32	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	70	0.32	Binding ≤ 10μM
GRIA4-5-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #5 Of 5), Eukaryotic	Eukaryotes	70	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)	0.03	4.03	-198.44	10	8	3	139	438.637	18	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.03	3.5	-126.55	9	8	2	138	437.629	18	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.03	2.46	-117.26	9	8	2	135	437.629	18	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = GRIA4-5-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 'GRIA4-5-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=GRIA4-5-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results

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