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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	CHEMBL596961
Molecular formula	C29H38N4O7
IUPAC name	(4S)-4-[(4-ethoxy-6-phenylpyridine-2-carbonyl)amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight	554.644
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.3
Synonyms	BDBM50307739 (4S)4-{[(4-Ethoxy-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
Inchi Key	BPUGPDVTNBBEEL-QHCPKHFHSA-N
Inchi ID	InChI=1S/C29H38N4O7/c1-3-5-9-18-40-29(38)33-16-14-32(15-17-33)28(37)23(12-13-26(34)35)31-27(36)25-20-22(39-4-2)19-24(30-25)21-10-7-6-8-11-21/h6-8,10-11,19-20,23H,3-5,9,12-18H2,1-2H3,(H,31,36)(H,34,35)/t23-/m0/s1
PubChem CID	45139952
ChEMBL	CHEMBL596961
IUPHAR	N/A
BindingDB	50307739
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
29912	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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