ZINC 12

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Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

26143603

Analogs

34556873
13743357

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLRA1-1-E	Glycine Receptor Subunit Alpha-1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	370	0.45	Binding ≤ 10μM
GLRA2-1-E	Glycine Receptor Subunit Alpha-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	370	0.45	Binding ≤ 10μM
GLRA3-1-E	Glycine Receptor Alpha-3 Chain (cluster #1 Of 2), Eukaryotic	Eukaryotes	370	0.45	Binding ≤ 10μM
GLRA4-1-E	Glycine Receptor Alpha-4 Chain (cluster #1 Of 2), Eukaryotic	Eukaryotes	370	0.45	Binding ≤ 10μM
GLRB-1-E	Glycine Receptor Beta Chain (cluster #1 Of 2), Eukaryotic	Eukaryotes	370	0.45	Binding ≤ 10μM
GRIA1-2-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #2 Of 4), Eukaryotic	Eukaryotes	80	0.50	Binding ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	80	0.50	Binding ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 4), Eukaryotic	Eukaryotes	80	0.50	Binding ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 5), Eukaryotic	Eukaryotes	80	0.50	Binding ≤ 10μM
GRIK1-2-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #2 Of 3), Eukaryotic	Eukaryotes	368	0.45	Binding ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	368	0.45	Binding ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	368	0.45	Binding ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	368	0.45	Binding ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	368	0.45	Binding ≤ 10μM
NMDZ1-3-E	Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic	Eukaryotes	370	0.45	Binding ≤ 10μM
GRIA1-1-E	Glutamate Receptor Ionotropic, AMPA 1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	63	0.50	Functional ≤ 10μM
GRIA2-1-E	Glutamate Receptor Ionotropic, AMPA 2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	63	0.50	Functional ≤ 10μM
GRIA3-1-E	Glutamate Receptor Ionotropic, AMPA 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	63	0.50	Functional ≤ 10μM
GRIA4-1-E	Glutamate Receptor Ionotropic, AMPA 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	63	0.50	Functional ≤ 10μM
GRIK1-1-E	Glutamate Receptor Ionotropic Kainate 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4000	0.38	Functional ≤ 10μM
GRIK2-1-E	Glutamate Receptor Ionotropic Kainate 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4000	0.38	Functional ≤ 10μM
GRIK3-1-E	Glutamate Receptor Ionotropic Kainate 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4000	0.38	Functional ≤ 10μM
GRIK4-1-E	Glutamate Receptor Ionotropic Kainate 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4000	0.38	Functional ≤ 10μM
GRIK5-1-E	Glutamate Receptor Ionotropic Kainate 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4000	0.38	Functional ≤ 10μM
Z104302-1-O	Glutamate NMDA Receptor (cluster #1 Of 7), Other	Other	370	0.45	Binding ≤ 10μM
Z104302-3-O	Glutamate NMDA Receptor (cluster #3 Of 3), Other	Other	370	0.45	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	500	0.44	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
NMDZ1_RAT	P35439	Glutamate (NMDA) Receptor Subunit Zeta 1, Rat	370	0.45	Binding ≤ 1μM
Z104302	Z104302	Glutamate NMDA Receptor	370	0.45	Binding ≤ 1μM
GRIK1_RAT	P22756	Glutamate Receptor Ionotropic Kainate 1, Rat	360	0.45	Binding ≤ 1μM
GRIK2_RAT	P42260	Glutamate Receptor Ionotropic Kainate 2, Rat	360	0.45	Binding ≤ 1μM
GRIK3_RAT	P42264	Glutamate Receptor Ionotropic Kainate 3, Rat	360	0.45	Binding ≤ 1μM
GRIK4_RAT	Q01812	Glutamate Receptor Ionotropic Kainate 4, Rat	360	0.45	Binding ≤ 1μM
GRIK5_RAT	Q63273	Glutamate Receptor Ionotropic Kainate 5, Rat	360	0.45	Binding ≤ 1μM
GRIA1_MOUSE	P23818	Glutamate Receptor Ionotropic, AMPA 1, Mouse	500	0.44	Binding ≤ 1μM
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	80	0.50	Binding ≤ 1μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	80	0.50	Binding ≤ 1μM
GRIA2_RAT	P19491	Glutamate Receptor Ionotropic, AMPA 2, Rat	500	0.44	Binding ≤ 1μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	80	0.50	Binding ≤ 1μM
GRIA3_RAT	P19492	Glutamate Receptor Ionotropic, AMPA 3, Rat	500	0.44	Binding ≤ 1μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	80	0.50	Binding ≤ 1μM
GRIA4_RAT	P19493	Glutamate Receptor Ionotropic, AMPA 4, Rat	500	0.44	Binding ≤ 1μM
GLRA1_RAT	P07727	Glycine Receptor Alpha-1 Chain, Rat	370	0.45	Binding ≤ 1μM
GLRA2_RAT	P22771	Glycine Receptor Alpha-2 Chain, Rat	370	0.45	Binding ≤ 1μM
GLRA3_RAT	P24524	Glycine Receptor Alpha-3 Chain, Rat	370	0.45	Binding ≤ 1μM
GLRA4_MOUSE	Q61603	Glycine Receptor Alpha-4 Chain, Mouse	370	0.45	Binding ≤ 1μM
GLRB_RAT	P20781	Glycine Receptor Beta Chain, Rat	370	0.45	Binding ≤ 1μM
NMDZ1_RAT	P35439	Glutamate (NMDA) Receptor Subunit Zeta 1, Rat	370	0.45	Binding ≤ 10μM
Z104302	Z104302	Glutamate NMDA Receptor	370	0.45	Binding ≤ 10μM
GRIK1_RAT	P22756	Glutamate Receptor Ionotropic Kainate 1, Rat	360	0.45	Binding ≤ 10μM
GRIK2_RAT	P42260	Glutamate Receptor Ionotropic Kainate 2, Rat	360	0.45	Binding ≤ 10μM
GRIK3_RAT	P42264	Glutamate Receptor Ionotropic Kainate 3, Rat	360	0.45	Binding ≤ 10μM
GRIK4_RAT	Q01812	Glutamate Receptor Ionotropic Kainate 4, Rat	360	0.45	Binding ≤ 10μM
GRIK5_RAT	Q63273	Glutamate Receptor Ionotropic Kainate 5, Rat	360	0.45	Binding ≤ 10μM
GRIA1_HUMAN	P42261	Glutamate Receptor Ionotropic, AMPA 1, Human	80	0.50	Binding ≤ 10μM
GRIA1_MOUSE	P23818	Glutamate Receptor Ionotropic, AMPA 1, Mouse	500	0.44	Binding ≤ 10μM
GRIA2_HUMAN	P42262	Glutamate Receptor Ionotropic, AMPA 2, Human	80	0.50	Binding ≤ 10μM
GRIA2_RAT	P19491	Glutamate Receptor Ionotropic, AMPA 2, Rat	500	0.44	Binding ≤ 10μM
GRIA3_HUMAN	P42263	Glutamate Receptor Ionotropic, AMPA 3, Human	80	0.50	Binding ≤ 10μM
GRIA3_RAT	P19492	Glutamate Receptor Ionotropic, AMPA 3, Rat	500	0.44	Binding ≤ 10μM
GRIA4_HUMAN	P48058	Glutamate Receptor Ionotropic, AMPA 4, Human	80	0.50	Binding ≤ 10μM
GRIA4_RAT	P19493	Glutamate Receptor Ionotropic, AMPA 4, Rat	500	0.44	Binding ≤ 10μM
GLRA1_RAT	P07727	Glycine Receptor Alpha-1 Chain, Rat	370	0.45	Binding ≤ 10μM
GLRA2_RAT	P22771	Glycine Receptor Alpha-2 Chain, Rat	370	0.45	Binding ≤ 10μM
GLRA3_RAT	P24524	Glycine Receptor Alpha-3 Chain, Rat	370	0.45	Binding ≤ 10μM
GLRA4_MOUSE	Q61603	Glycine Receptor Alpha-4 Chain, Mouse	370	0.45	Binding ≤ 10μM
GLRB_RAT	P20781	Glycine Receptor Beta Chain, Rat	370	0.45	Binding ≤ 10μM
Z104302	Z104302	Glutamate NMDA Receptor	370	0.45	Functional ≤ 10μM
GRIK1_RAT	P22756	Glutamate Receptor Ionotropic Kainate 1, Rat	4000	0.38	Functional ≤ 10μM
GRIK2_RAT	P42260	Glutamate Receptor Ionotropic Kainate 2, Rat	4000	0.38	Functional ≤ 10μM
GRIK3_RAT	P42264	Glutamate Receptor Ionotropic Kainate 3, Rat	4000	0.38	Functional ≤ 10μM
GRIK4_RAT	Q01812	Glutamate Receptor Ionotropic Kainate 4, Rat	4000	0.38	Functional ≤ 10μM
GRIK5_RAT	Q63273	Glutamate Receptor Ionotropic Kainate 5, Rat	4000	0.38	Functional ≤ 10μM
GRIA1_MOUSE	P23818	Glutamate Receptor Ionotropic, AMPA 1, Mouse	63	0.50	Functional ≤ 10μM
GRIA1_RAT	P19490	Glutamate Receptor Ionotropic, AMPA 1, Rat	2500	0.39	Functional ≤ 10μM
GRIA2_RAT	P19491	Glutamate Receptor Ionotropic, AMPA 2, Rat	2500	0.39	Functional ≤ 10μM
GRIA3_RAT	P19492	Glutamate Receptor Ionotropic, AMPA 3, Rat	2500	0.39	Functional ≤ 10μM
GRIA4_RAT	P19493	Glutamate Receptor Ionotropic, AMPA 4, Rat	2500	0.39	Functional ≤ 10μM
Z50597	Z50597	Rattus Norvegicus	2500	0.39	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)	-0.63	-0.08	-20.44	2	8	0	115	276.252	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.27	-1.12	-48.03	1	8	-1	118	275.244	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 148603
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 = 148603 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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ZINC 12

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