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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	CHEMBL600575
Molecular formula	C36H49N5O9
IUPAC name	(4S)-4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)methoxy]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight	695.814
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	4.0
Synonyms	(4S)4-{[(4-{[1-(Ethoxycarbonyl)piperidin-4-yl]methoxy}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid BDBM50307604
Inchi Key	BTXXZXRTOKUQBZ-LJAQVGFWSA-N
Inchi ID	InChI=1S/C36H49N5O9/c1-3-5-9-22-49-36(47)41-20-18-39(19-21-41)34(45)29(12-13-32(42)43)38-33(44)31-24-28(23-30(37-31)27-10-7-6-8-11-27)50-25-26-14-16-40(17-15-26)35(46)48-4-2/h6-8,10-11,23-24,26,29H,3-5,9,12-22,25H2,1-2H3,(H,38,44)(H,42,43)/t29-/m0/s1
PubChem CID	45139408
ChEMBL	CHEMBL600575
IUPHAR	N/A
BindingDB	50307604
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
32800	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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