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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	CHEMBL3326904
Molecular formula	C28H30N4O4
IUPAC name	4-[1-[[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]carbamoyl]-6-methylindol-3-yl]butanoic acid
Molecular weight	486.572
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.6
Synonyms	BDBM50100271
Inchi Key	CNEUIUYUJUBTAI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H30N4O4/c1-4-6-26(33)24-16-29-32(19(24)3)22-12-10-21(11-13-22)30-28(36)31-17-20(7-5-8-27(34)35)23-14-9-18(2)15-25(23)31/h9-17H,4-8H2,1-3H3,(H,30,36)(H,34,35)
PubChem CID	118711971
ChEMBL	CHEMBL3326904
IUPHAR	N/A
BindingDB	50100271
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
443481	P2Y purinoceptor 12	Q9EPX4	P2ry12	Rattus norvegicus (Rat)	343
443482	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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