ZINC 12

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

36338505

Analogs

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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	0.30	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	15	0.30	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	15	0.30	Binding ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic	Eukaryotes	15	0.30	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	3400	0.21	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3400	0.21	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3400	0.21	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3400	0.21	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3400	0.21	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	15	0.30	Binding ≤ 1μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	15	0.30	Binding ≤ 1μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	15	0.30	Binding ≤ 1μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	15	0.30	Binding ≤ 1μM
GRIK1_HUMAN	P39086	Glutamate Receptor Ionotropic Kainate 1, Human	3400	0.21	Binding ≤ 10μM
GRIK2_HUMAN	Q13002	Glutamate Receptor Ionotropic Kainate 2, Human	3400	0.21	Binding ≤ 10μM
GRIK3_HUMAN	Q13003	Glutamate Receptor Ionotropic Kainate 3, Human	3400	0.21	Binding ≤ 10μM
GRIK4_HUMAN	Q16099	Glutamate Receptor Ionotropic Kainate 4, Human	3400	0.21	Binding ≤ 10μM
GRIK5_HUMAN	Q16478	Glutamate Receptor Ionotropic Kainate 5, Human	3400	0.21	Binding ≤ 10μM
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	15	0.30	Binding ≤ 10μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	15	0.30	Binding ≤ 10μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	15	0.30	Binding ≤ 10μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	15	0.30	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)	1.81	9.62	-53.86	3	10	-1	141	500.413	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.71	7.48	-108.95	2	10	-2	144	499.405	7	↓ MOL2 SDF SMILES Flexibase

36338506

Analogs

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Activity (Go SEA)

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	4	0.32	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.32	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.32	Binding ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic	Eukaryotes	4	0.32	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	110	0.26	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	110	0.26	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	110	0.26	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	110	0.26	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	110	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIK1_HUMAN	P39086	Glutamate Receptor Ionotropic Kainate 1, Human	110	0.26	Binding ≤ 1μM
GRIK2_HUMAN	Q13002	Glutamate Receptor Ionotropic Kainate 2, Human	110	0.26	Binding ≤ 1μM
GRIK3_HUMAN	Q13003	Glutamate Receptor Ionotropic Kainate 3, Human	110	0.26	Binding ≤ 1μM
GRIK4_HUMAN	Q16099	Glutamate Receptor Ionotropic Kainate 4, Human	110	0.26	Binding ≤ 1μM
GRIK5_HUMAN	Q16478	Glutamate Receptor Ionotropic Kainate 5, Human	110	0.26	Binding ≤ 1μM
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	4	0.32	Binding ≤ 1μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	4	0.32	Binding ≤ 1μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	4	0.32	Binding ≤ 1μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	4	0.32	Binding ≤ 1μM
GRIK1_HUMAN	P39086	Glutamate Receptor Ionotropic Kainate 1, Human	110	0.26	Binding ≤ 10μM
GRIK2_HUMAN	Q13002	Glutamate Receptor Ionotropic Kainate 2, Human	110	0.26	Binding ≤ 10μM
GRIK3_HUMAN	Q13003	Glutamate Receptor Ionotropic Kainate 3, Human	110	0.26	Binding ≤ 10μM
GRIK4_HUMAN	Q16099	Glutamate Receptor Ionotropic Kainate 4, Human	110	0.26	Binding ≤ 10μM
GRIK5_HUMAN	Q16478	Glutamate Receptor Ionotropic Kainate 5, Human	110	0.26	Binding ≤ 10μM
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	4	0.32	Binding ≤ 10μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	4	0.32	Binding ≤ 10μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	4	0.32	Binding ≤ 10μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	4	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)	2.62	10.25	-52.47	3	10	-1	141	579.309	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.52	8.11	-107.23	2	10	-2	144	578.301	7	↓ MOL2 SDF SMILES Flexibase

36338507

Analogs

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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	71	0.29	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	71	0.29	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	71	0.29	Binding ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic	Eukaryotes	71	0.29	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	2600	0.22	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2600	0.22	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	2600	0.22	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2600	0.22	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2600	0.22	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	71	0.29	Binding ≤ 1μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	71	0.29	Binding ≤ 1μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	71	0.29	Binding ≤ 1μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	71	0.29	Binding ≤ 1μM
GRIK1_HUMAN	P39086	Glutamate Receptor Ionotropic Kainate 1, Human	2600	0.22	Binding ≤ 10μM
GRIK2_HUMAN	Q13002	Glutamate Receptor Ionotropic Kainate 2, Human	2600	0.22	Binding ≤ 10μM
GRIK3_HUMAN	Q13003	Glutamate Receptor Ionotropic Kainate 3, Human	2600	0.22	Binding ≤ 10μM
GRIK4_HUMAN	Q16099	Glutamate Receptor Ionotropic Kainate 4, Human	2600	0.22	Binding ≤ 10μM
GRIK5_HUMAN	Q16478	Glutamate Receptor Ionotropic Kainate 5, Human	2600	0.22	Binding ≤ 10μM
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	71	0.29	Binding ≤ 10μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	71	0.29	Binding ≤ 10μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	71	0.29	Binding ≤ 10μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	71	0.29	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)	0.87	9.3	-52.76	3	13	-1	187	477.413	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.78	7.13	-106.56	2	13	-2	190	476.405	7	↓ MOL2 SDF SMILES Flexibase

36338509

Analogs

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Activity (Go SEA)

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	5	0.30	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.30	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.30	Binding ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic	Eukaryotes	5	0.30	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	70	0.26	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	70	0.26	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	70	0.26	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	70	0.26	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	70	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIK1_HUMAN	P39086	Glutamate Receptor Ionotropic Kainate 1, Human	100	0.25	Binding ≤ 1μM
GRIK2_HUMAN	Q13002	Glutamate Receptor Ionotropic Kainate 2, Human	610	0.22	Binding ≤ 1μM
GRIK3_HUMAN	Q13003	Glutamate Receptor Ionotropic Kainate 3, Human	46	0.26	Binding ≤ 1μM
GRIK4_HUMAN	Q16099	Glutamate Receptor Ionotropic Kainate 4, Human	70	0.26	Binding ≤ 1μM
GRIK5_HUMAN	Q16478	Glutamate Receptor Ionotropic Kainate 5, Human	70	0.26	Binding ≤ 1μM
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	5	0.30	Binding ≤ 1μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	5	0.30	Binding ≤ 1μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	5	0.30	Binding ≤ 1μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	5	0.30	Binding ≤ 1μM
GRIK1_HUMAN	P39086	Glutamate Receptor Ionotropic Kainate 1, Human	100	0.25	Binding ≤ 10μM
GRIK2_HUMAN	Q13002	Glutamate Receptor Ionotropic Kainate 2, Human	610	0.22	Binding ≤ 10μM
GRIK3_HUMAN	Q13003	Glutamate Receptor Ionotropic Kainate 3, Human	46	0.26	Binding ≤ 10μM
GRIK4_HUMAN	Q16099	Glutamate Receptor Ionotropic Kainate 4, Human	70	0.26	Binding ≤ 10μM
GRIK5_HUMAN	Q16478	Glutamate Receptor Ionotropic Kainate 5, Human	70	0.26	Binding ≤ 10μM
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	5	0.30	Binding ≤ 10μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	5	0.30	Binding ≤ 10μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	5	0.30	Binding ≤ 10μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	5	0.30	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)	1.77	10.34	-54.57	3	13	-1	187	545.41	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.67	8.2	-108.76	2	13	-2	190	544.402	8	↓ MOL2 SDF SMILES Flexibase

36338511

Analogs

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Activity (Go SEA)

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	5	0.29	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic	Eukaryotes	5	0.29	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	110	0.24	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	110	0.24	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	110	0.24	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	110	0.24	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	110	0.24	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIK1_HUMAN	P39086	Glutamate Receptor Ionotropic Kainate 1, Human	110	0.24	Binding ≤ 1μM
GRIK2_HUMAN	Q13002	Glutamate Receptor Ionotropic Kainate 2, Human	110	0.24	Binding ≤ 1μM
GRIK3_HUMAN	Q13003	Glutamate Receptor Ionotropic Kainate 3, Human	110	0.24	Binding ≤ 1μM
GRIK4_HUMAN	Q16099	Glutamate Receptor Ionotropic Kainate 4, Human	110	0.24	Binding ≤ 1μM
GRIK5_HUMAN	Q16478	Glutamate Receptor Ionotropic Kainate 5, Human	110	0.24	Binding ≤ 1μM
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	5	0.29	Binding ≤ 1μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	5	0.29	Binding ≤ 1μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	5	0.29	Binding ≤ 1μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	5	0.29	Binding ≤ 1μM
GRIK1_HUMAN	P39086	Glutamate Receptor Ionotropic Kainate 1, Human	110	0.24	Binding ≤ 10μM
GRIK2_HUMAN	Q13002	Glutamate Receptor Ionotropic Kainate 2, Human	110	0.24	Binding ≤ 10μM
GRIK3_HUMAN	Q13003	Glutamate Receptor Ionotropic Kainate 3, Human	110	0.24	Binding ≤ 10μM
GRIK4_HUMAN	Q16099	Glutamate Receptor Ionotropic Kainate 4, Human	110	0.24	Binding ≤ 10μM
GRIK5_HUMAN	Q16478	Glutamate Receptor Ionotropic Kainate 5, Human	110	0.24	Binding ≤ 10μM
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	5	0.29	Binding ≤ 10μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	5	0.29	Binding ≤ 10μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	5	0.29	Binding ≤ 10μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	5	0.29	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)	2.71	10.63	-52.71	3	10	-1	141	568.41	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.61	8.49	-107.38	2	10	-2	144	567.402	8	↓ MOL2 SDF SMILES Flexibase

36338513

Analogs

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Activity (Go SEA)

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	250	0.30	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	250	0.30	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	250	0.30	Binding ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic	Eukaryotes	250	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	250	0.30	Binding ≤ 1μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	250	0.30	Binding ≤ 1μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	250	0.30	Binding ≤ 1μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	250	0.30	Binding ≤ 1μM
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	250	0.30	Binding ≤ 10μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	250	0.30	Binding ≤ 10μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	250	0.30	Binding ≤ 10μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	250	0.30	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)	1.11	6.47	-22.26	4	11	0	158	420.385	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	4.27	-45.99	3	11	-1	161	419.377	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	4.31	-43.1	3	11	-1	161	419.377	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 93325
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 = 93325 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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