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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	CHEMBL599606
Molecular formula	C31H33N3O6
IUPAC name	(4S)-4-[(3,5-diphenylbenzoyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
Molecular weight	543.62
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.9
Synonyms	(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-5-oxo-4-[(1,1'':3'',1''''-terphenyl-5''-ylcarbonyl)mino]pentanoic Acid BDBM50307625
Inchi Key	AOZJDOHXGPKBLN-MHZLTWQESA-N
Inchi ID	InChI=1S/C31H33N3O6/c1-2-40-31(39)34-17-15-33(16-18-34)30(38)27(13-14-28(35)36)32-29(37)26-20-24(22-9-5-3-6-10-22)19-25(21-26)23-11-7-4-8-12-23/h3-12,19-21,27H,2,13-18H2,1H3,(H,32,37)(H,35,36)/t27-/m0/s1
PubChem CID	46233322
ChEMBL	CHEMBL599606
IUPHAR	N/A
BindingDB	50307625
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
10775	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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