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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	CHEMBL2419501
Molecular formula	C21H22N4O5S
IUPAC name	ethyl 6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate
Molecular weight	442.49
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.8
Synonyms	5-Cyano-2-methyl-6 (3-phenylmethanesulfonylaminocarbonyl-azetidin-1-yl)-nicotinic acid ethyl ester ZINC34846050 AOOWVFPXPVQQGP-UHFFFAOYSA-N 5-Cyano-2-methyl-6-(3-phenylmethanesulfonylaminocarbonyl-azetidin-1-yl)-nicotinic acid ethyl ester BDBM50439281 2-Methyl-5-cyano-6-[3-[(benzylsulfonyl)carbamoyl]-1-azetidinyl]nicotinic acid ethyl ester SCHEMBL3223721 [ Show all ]
Inchi Key	AOOWVFPXPVQQGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22N4O5S/c1-3-30-21(27)18-9-16(10-22)19(23-14(18)2)25-11-17(12-25)20(26)24-31(28,29)13-15-7-5-4-6-8-15/h4-9,17H,3,11-13H2,1-2H3,(H,24,26)
PubChem CID	15983546
ChEMBL	CHEMBL2419501
IUPHAR	N/A
BindingDB	50439281
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
10459	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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