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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	CHEMBL3325666
Molecular formula	C32H38N6O3
IUPAC name	N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-(3,4-dimethylpiperazin-1-yl)-2-oxoethyl]-5-methylindole-3-carboxamide
Molecular weight	554.695
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM50055822
Inchi Key	PGESQWKNQQUBOF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H38N6O3/c1-6-7-30(39)27-17-33-38(23(27)4)25-11-9-24(10-12-25)34-32(41)28-19-37(29-13-8-21(2)16-26(28)29)20-31(40)36-15-14-35(5)22(3)18-36/h8-13,16-17,19,22H,6-7,14-15,18,20H2,1-5H3,(H,34,41)
PubChem CID	118711102
ChEMBL	CHEMBL3325666
IUPHAR	N/A
BindingDB	50055822
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
451912	P2Y purinoceptor 12	Q9EPX4	P2ry12	Rattus norvegicus (Rat)	343
451913	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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