ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIK1-1-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2430	0.71	Binding ≤ 10μM
GRIK2-3-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #3 Of 3), Eukaryotic	Eukaryotes	3230	0.70	Binding ≤ 10μM
GRIK3-3-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #3 Of 3), Eukaryotic	Eukaryotes	1740	0.73	Binding ≤ 10μM
GRM1-2-E	Metabotropic Glutamate Receptor 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	6000	0.66	Binding ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	10000	0.64	Binding ≤ 10μM
GRM5-2-E	Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic	Eukaryotes	8000	0.65	Binding ≤ 10μM
GRM1-3-E	Metabotropic Glutamate Receptor 1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	6000	0.66	Functional ≤ 10μM
GRM5-4-E	Metabotropic Glutamate Receptor 5 (cluster #4 Of 5), Eukaryotic	Eukaryotes	6000	0.66	Functional ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 7), Other	Other	10000	0.64	Binding ≤ 10μM
Z50597-8-O	Rattus Norvegicus (cluster #8 Of 12), Other	Other	9600	0.64	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)	-3.16	-1.99	-41.18	3	6	-1	112	157.105	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.70	-3.67	-101.23	2	6	-2	115	156.097	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-2.70	-4.09	-41.28	4	6	0	114	158.113	2	↓ MOL2 SDF SMILES Flexibase

19850499

Analogs

19850502

Draw Identity 99% 90% 80% 70%

Popular Name: AMPA AMPA

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	364	0.69	Binding ≤ 10μM
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4800	0.57	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	364	0.69	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	4800	0.57	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	40	0.80	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	4800	0.57	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	40	0.80	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	4800	0.57	Binding ≤ 10μM
GRIK1-1-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	740	0.66	Binding ≤ 10μM
GRIK2-3-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #3 Of 3), Eukaryotic	Eukaryotes	12	0.85	Binding ≤ 10μM
GRIK3-3-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #3 Of 3), Eukaryotic	Eukaryotes	12	0.85	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	12	0.85	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	12	0.85	Binding ≤ 10μM
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3310	0.59	Functional ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	3310	0.59	Functional ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3500	0.59	Functional ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3500	0.59	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	800	0.66	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	4800	0.57	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	-1.91	-52.1	3	6	-1	117	185.159	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-2.69	-2.52	-37.61	4	6	0	114	186.167	3	↓ MOL2 SDF SMILES Flexibase

19850502

Analogs

19850499

Draw Identity 99% 90% 80% 70%

Popular Name: AMPA AMPA

Find On: PubMed — Wikipedia — Google

Vendors

And 23 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	22	0.82	Binding ≤ 10μM
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	364	0.69	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	17	0.84	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	364	0.69	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	21	0.83	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	40	0.80	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	40	0.80	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	40	0.80	Binding ≤ 10μM
GRIK1-1-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	740	0.66	Binding ≤ 10μM
GRIK1-1-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1150	0.64	Binding ≤ 10μM
GRIK2-3-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #3 Of 3), Eukaryotic	Eukaryotes	12	0.85	Binding ≤ 10μM
GRIK3-3-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #3 Of 3), Eukaryotic	Eukaryotes	12	0.85	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	12	0.85	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	12	0.85	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2144	0.61	Binding ≤ 10μM
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3310	0.59	Functional ≤ 10μM
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3500	0.59	Functional ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	3310	0.59	Functional ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	3500	0.59	Functional ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3500	0.59	Functional ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3500	0.59	Functional ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3500	0.59	Functional ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3500	0.59	Functional ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	3800	0.58	Functional ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 7), Other	Other	3500	0.59	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	800	0.66	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	6700	0.56	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	-1.72	-76.52	3	6	-1	117	185.159	3	↓ MOL2 SDF SMILES Flexibase

24632618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Atpa Atpa

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	2100	0.50	Binding ≤ 10μM
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	2780	0.49	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	1800	0.50	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	2100	0.50	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	2100	0.50	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	7900	0.45	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	2100	0.50	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	7600	0.45	Binding ≤ 10μM
GRIK1-1-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2	0.76	Binding ≤ 10μM
GRIK3-3-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #3 Of 3), Eukaryotic	Eukaryotes	2530	0.49	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	480	0.55	Binding ≤ 10μM
GRIK1-1-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	660	0.54	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)	-0.97	-0.38	-49.09	3	6	-1	117	227.24	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.97	-0.69	-105.71	2	6	-2	115	226.232	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.42	1.24	-28.43	4	6	0	114	228.248	4	↓ MOL2 SDF SMILES Flexibase

13779018

Analogs

22066252

Draw Identity 99% 90% 80% 70%

Popular Name: QUISQUALIC ACID QUISQUALIC ACID

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FOLH1-1-E	Glutamate Carboxypeptidase II (cluster #1 Of 2), Eukaryotic	Eukaryotes	9500	0.54	Binding ≤ 10μM
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 4), Eukaryotic	Eukaryotes	80	0.76	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	80	0.76	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	80	0.76	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	80	0.76	Binding ≤ 10μM
GRIK1-3-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	171	0.73	Binding ≤ 10μM
GRIK2-3-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #3 Of 3), Eukaryotic	Eukaryotes	150	0.73	Binding ≤ 10μM
GRIK3-3-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #3 Of 3), Eukaryotic	Eukaryotes	1670	0.62	Binding ≤ 10μM
GRIK4-2-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #2 Of 2), Eukaryotic	Eukaryotes	150	0.73	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	150	0.73	Binding ≤ 10μM
GRM1-2-E	Metabotropic Glutamate Receptor 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	200	0.72	Binding ≤ 10μM
GRM3-1-E	Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	25	0.82	Binding ≤ 10μM
GRM5-2-E	Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic	Eukaryotes	150	0.73	Binding ≤ 10μM
GRM7-1-E	Metabotropic Glutamate Receptor 7 (cluster #1 Of 1), Eukaryotic	Eukaryotes	25	0.82	Binding ≤ 10μM
GRM8-2-E	Metabotropic Glutamate Receptor 8 (cluster #2 Of 2), Eukaryotic	Eukaryotes	25	0.82	Binding ≤ 10μM
Q80T35-1-E	Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic	Eukaryotes	25	0.82	Binding ≤ 10μM
Q80T43-1-E	Metabotropic Glutamate Receptor 2 (cluster #1 Of 1), Eukaryotic	Eukaryotes	25	0.82	Binding ≤ 10μM
Q80T47-1-E	Metabotropic Glutamate Receptor 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	25	0.82	Binding ≤ 10μM
XCT-1-E	Cystine/glutamate Transporter (cluster #1 Of 2), Eukaryotic	Eukaryotes	5000	0.57	Binding ≤ 10μM
GRM1-3-E	Metabotropic Glutamate Receptor 1 (cluster #3 Of 5), Eukaryotic	Eukaryotes	1100	0.64	Functional ≤ 10μM
GRM5-4-E	Metabotropic Glutamate Receptor 5 (cluster #4 Of 5), Eukaryotic	Eukaryotes	55	0.78	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	7300	0.55	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	-4.9	-43.55	3	8	-1	139	188.119	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-4.04	-5.21	-87.71	2	8	-2	137	187.111	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-4.04	-7.81	-15.85	4	8	0	132	189.127	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = GRIK3-3-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 'GRIK3-3-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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