ZINC 12

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Query Details

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ZINC Item

Suppliers, Protomers, & Similar Substances

27191322

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	120	0.57	Binding ≤ 10μM
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	279	0.54	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	115	0.57	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	120	0.57	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	120	0.57	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	120	0.57	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	207	0.55	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	3700	0.45	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3700	0.45	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3700	0.45	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3700	0.45	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	393	0.53	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3700	0.45	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)	-3.61	-1.5	-58.63	3	10	-1	172	243.155	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.61	-1.72	-91.85	2	10	-2	170	242.147	4	↓ MOL2 SDF SMILES Flexibase

13766121

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	65	0.67	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	53	0.68	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	451	0.59	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	451	0.59	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	47	0.68	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	57	0.68	Binding ≤ 10μM
GRIA2-2-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #2 Of 4), Eukaryotic	Eukaryotes	2110	0.53	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)	-3.35	-0.77	-39.5	4	7	0	123	233.611	3	↓ MOL2 SDF SMILES Flexibase

2047688

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	163	0.63	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	176	0.63	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	976	0.56	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	972	0.56	Binding ≤ 10μM
GRIK1-3-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	2	0.81	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	140	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)	-2.95	0.82	-42.22	4	7	0	123	325.062	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.49	-1.87	-67.59	3	7	-1	126	324.054	3	↓ MOL2 SDF SMILES Flexibase

2530708

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	15	0.73	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	25	0.71	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	70	0.67	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	305	0.61	Binding ≤ 10μM
GRIK1-3-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	1380	0.55	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1820	0.54	Binding ≤ 10μM
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	382	0.60	Functional ≤ 10μM
GRIA2-2-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #2 Of 4), Eukaryotic	Eukaryotes	463	0.59	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)	-3.87	-0.19	-45.44	4	7	0	123	217.156	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.41	-2.93	-72.07	3	7	-1	126	216.148	3	↓ MOL2 SDF SMILES Flexibase

18118278

Analogs

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Popular Name: DNQX DNQX

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	360	0.50	Binding ≤ 10μM
GRIA2-2-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #2 Of 4), Eukaryotic	Eukaryotes	360	0.50	Binding ≤ 10μM
GRIA3-2-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	360	0.50	Binding ≤ 10μM
GRIA4-2-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #2 Of 5), Eukaryotic	Eukaryotes	360	0.50	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	2900	0.43	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2900	0.43	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2900	0.43	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2900	0.43	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	740	0.48	Binding ≤ 10μM
NMD3A-4-E	Glutamate [NMDA] Receptor Subunit 3A (cluster #4 Of 6), Eukaryotic	Eukaryotes	390	0.50	Binding ≤ 10μM
NMD3B-4-E	Glutamate [NMDA] Receptor Subunit 3B (cluster #4 Of 6), Eukaryotic	Eukaryotes	390	0.50	Binding ≤ 10μM
NMDE1-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	840	0.47	Binding ≤ 10μM
NMDE2-1-E	Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	840	0.47	Binding ≤ 10μM
NMDE3-2-E	Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	840	0.47	Binding ≤ 10μM
NMDE4-4-E	Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #4 Of 6), Eukaryotic	Eukaryotes	390	0.50	Binding ≤ 10μM
NMDZ1-1-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #1 Of 6), Eukaryotic	Eukaryotes	840	0.47	Binding ≤ 10μM
Z104302-5-O	Glutamate NMDA Receptor (cluster #5 Of 7), Other	Other	4500	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)	0.46	1.23	-35.53	1	10	-1	160	251.134	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.42	3.67	-137.39	2	10	2	154	252.142	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.42	2.62	-51.15	1	10	1	153	251.134	2	↓ MOL2 SDF SMILES Flexibase

14951272

Analogs

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Popular Name: YM-90K YM-90K

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	135	0.48	Binding ≤ 10μM
GRIA2-2-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #2 Of 4), Eukaryotic	Eukaryotes	135	0.48	Binding ≤ 10μM
GRIA3-2-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	135	0.48	Binding ≤ 10μM
GRIA4-2-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #2 Of 5), Eukaryotic	Eukaryotes	135	0.48	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	4800	0.37	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	4800	0.37	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	4800	0.37	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4800	0.37	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2200	0.40	Binding ≤ 10μM
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	260	0.46	Functional ≤ 10μM
GRIA2-2-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #2 Of 4), Eukaryotic	Eukaryotes	260	0.46	Functional ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	260	0.46	Functional ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	260	0.46	Functional ≤ 10μM
GRIK1-1-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	300	0.46	Functional ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	300	0.46	Functional ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	300	0.46	Functional ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	300	0.46	Functional ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	300	0.46	Functional ≤ 10μM
Z104302-4-O	Glutamate NMDA Receptor (cluster #4 Of 7), Other	Other	7400	0.36	Binding ≤ 10μM
Z50574-1-O	Xenopus Sp. (cluster #1 Of 2), Other	Other	260	0.46	Functional ≤ 10μM
Z50597-8-O	Rattus Norvegicus (cluster #8 Of 12), Other	Other	810	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)	0.26	2.06	-40.89	1	9	-1	132	272.2	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.22	5.15	-137.07	2	9	2	126	273.208	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.22	4.1	-49.04	1	9	1	125	272.2	2	↓ MOL2 SDF SMILES Flexibase

8585017

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	70	0.44	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	70	0.44	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	70	0.44	Binding ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic	Eukaryotes	70	0.44	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	8000	0.31	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	8000	0.31	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	8000	0.31	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	8000	0.31	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	79	0.43	Binding ≤ 10μM
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	6000	0.32	Functional ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	2500	0.34	Functional ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	200	0.41	Functional ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	200	0.41	Functional ≤ 10μM
GRIK1-1-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	90	0.43	Functional ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	90	0.43	Functional ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	90	0.43	Functional ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	90	0.43	Functional ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	90	0.43	Functional ≤ 10μM
Z104302-4-O	Glutamate NMDA Receptor (cluster #4 Of 7), Other	Other	200	0.41	Binding ≤ 10μM
Z50594-1-O	Mus Musculus (cluster #1 Of 9), Other	Other	300	0.40	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	4000	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)	-0.57	1.41	-25.8	4	10	0	172	336.285	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.33	-0.74	-49.41	3	10	-1	175	335.277	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.33	-0.78	-57.47	3	10	-1	175	335.277	2	↓ MOL2 SDF SMILES Flexibase

24632618

Analogs

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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

19850502

Analogs

19850499

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	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

2047689

Analogs

12504088

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	35	0.70	Binding ≤ 10μM
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	92	0.66	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	61	0.67	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	101	0.65	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	434	0.59	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	457	0.59	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	656	0.58	Binding ≤ 10μM
GRIK1-3-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	15	0.73	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9	0.75	Binding ≤ 10μM
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	2800	0.52	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)	-3.22	-4.87	-39.23	4	7	0	122	278.062	3	↓ 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

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

13755434

Analogs

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	3300	0.51	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	3300	0.51	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	3300	0.51	Binding ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic	Eukaryotes	3300	0.51	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	4400	0.50	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	4400	0.50	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	4400	0.50	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4400	0.50	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4400	0.50	Binding ≤ 10μM
Z104302-4-O	Glutamate NMDA Receptor (cluster #4 Of 7), Other	Other	1100	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)	-0.16	-2.01	-44.42	1	8	-1	128	207.125	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.61	1.55	-51.76	3	8	1	126	209.141	1	↓ MOL2 SDF SMILES Flexibase

1490608

Analogs

39958417

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-CPW399 (S)-CPW399

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	747	0.50	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	747	0.50	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	747	0.50	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	747	0.50	Binding ≤ 10μM
GRIK1-3-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #3 Of 3), Eukaryotic	Eukaryotes	7940	0.42	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	7940	0.42	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	7940	0.42	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7940	0.42	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7940	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)	-3.30	1.57	-42.15	4	7	0	123	239.231	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.30	1.24	-43.8	3	7	-1	121	238.223	3	↓ MOL2 SDF SMILES Flexibase

28108493

Analogs

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	120	0.57	Binding ≤ 10μM
GRIA2-4-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #4 Of 4), Eukaryotic	Eukaryotes	120	0.57	Binding ≤ 10μM
GRIA3-4-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	120	0.57	Binding ≤ 10μM
GRIA4-4-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #4 Of 5), Eukaryotic	Eukaryotes	120	0.57	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	3700	0.45	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3700	0.45	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3700	0.45	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3700	0.45	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3700	0.45	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)	-3.61	-1.43	-75.9	3	10	-1	172	243.155	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.61	-1.73	-92.3	2	10	-2	170	242.147	4	↓ MOL2 SDF SMILES Flexibase

8662575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CNQX CNQX

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	340	0.53	Binding ≤ 10μM
GRIA2-2-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #2 Of 4), Eukaryotic	Eukaryotes	340	0.53	Binding ≤ 10μM
GRIA3-2-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #2 Of 4), Eukaryotic	Eukaryotes	340	0.53	Binding ≤ 10μM
GRIA4-2-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #2 Of 5), Eukaryotic	Eukaryotes	340	0.53	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	2400	0.46	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2400	0.46	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2400	0.46	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2400	0.46	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2400	0.46	Binding ≤ 10μM
NMDZ1-1-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #1 Of 6), Eukaryotic	Eukaryotes	7900	0.42	Binding ≤ 10μM
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	600	0.51	Functional ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	600	0.51	Functional ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	600	0.51	Functional ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	600	0.51	Functional ≤ 10μM
GRIK1-1-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1660	0.48	Functional ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1660	0.48	Functional ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 7), Other	Other	5600	0.43	Binding ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	10000	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)	0.26	0.17	-38.85	1	8	-1	138	231.147	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.22	1.62	-52.45	1	8	1	131	231.147	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.22	1.62	-53.61	1	8	1	131	231.147	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = GRIK5-1-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 'GRIK5-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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Embed Link to Results

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