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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	CHEMBL3394008
Molecular formula	C18H22N6O3S
IUPAC name	4-methylsulfonyl-N-[3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-2-yl]-1H-pyrrole-2-carboxamide
Molecular weight	402.473
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	0.7
Synonyms	BDBM50061380
Inchi Key	AIQIQRHMEFDXQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H22N6O3S/c1-28(26,27)13-11-15(20-12-13)17(25)22-18-21-14-5-4-6-19-16(14)24(18)10-9-23-7-2-3-8-23/h4-6,11-12,20H,2-3,7-10H2,1H3,(H,21,22,25)
PubChem CID	118725858
ChEMBL	CHEMBL3394008
IUPHAR	N/A
BindingDB	50061380
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
441937	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
441936	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
441938	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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