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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	CHEMBL592887
Molecular formula	C34H42F3N5O8
IUPAC name	(4S)-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[[6-phenyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxypyridine-2-carbonyl]amino]pentanoic acid
Molecular weight	705.732
Hydrogen bond acceptor	12
Hydrogen bond donor	2
XlogP	4.1
Synonyms	BDBM50307615 (4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-{[(6-phenyl-4-{[1-(trifluoroacetyl)iperidin-4-yl]oxy}pyridin-2-yl)carbonyl]amino}pentanoic Acid
Inchi Key	BKCCOLCEJXMQII-SANMLTNESA-N
Inchi ID	InChI=1S/C34H42F3N5O8/c1-2-3-7-20-49-33(48)42-18-16-40(17-19-42)31(46)26(10-11-29(43)44)39-30(45)28-22-25(21-27(38-28)23-8-5-4-6-9-23)50-24-12-14-41(15-13-24)32(47)34(35,36)37/h4-6,8-9,21-22,24,26H,2-3,7,10-20H2,1H3,(H,39,45)(H,43,44)/t26-/m0/s1
PubChem CID	45141776
ChEMBL	CHEMBL592887
IUPHAR	N/A
BindingDB	50307615
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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
25649	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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