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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL453637
Molecular formula	C25H25N3O3
IUPAC name	[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone
Molecular weight	415.493
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.8
Synonyms	((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinolin-1(2H)-yl)(4-nitrophenyl)methanone BDBM50246468 ZINC4663425 [(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone AC1OJ2DB
Inchi Key	AHJVMUCXWPUDTK-BSDZUQITSA-N
Inchi ID	InChI=1S/C25H25N3O3/c1-3-22-17(2)24(26-19-9-5-4-6-10-19)21-11-7-8-12-23(21)27(22)25(29)18-13-15-20(16-14-18)28(30)31/h4-17,22,24,26H,3H2,1-2H3/t17-,22-,24+/m1/s1
PubChem CID	7313032
ChEMBL	CHEMBL453637
IUPHAR	N/A
BindingDB	50246468
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
5634	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373

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