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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	CHEMBL424076
Molecular formula	C25H20N4O2
IUPAC name	1-(3-ethynylphenyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
Molecular weight	408.461
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.7
Synonyms	BDBM50043549 1-(3-Ethynyl-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
Inchi Key	AIVDZTLFSHLRMS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H20N4O2/c1-3-17-10-9-13-19(16-17)26-25(31)28-23-24(30)29(2)21-15-8-7-14-20(21)22(27-23)18-11-5-4-6-12-18/h1,4-16,23H,2H3,(H2,26,28,31)
PubChem CID	44356801
ChEMBL	CHEMBL424076
IUPHAR	N/A
BindingDB	50043549
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
6548	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
6547	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447

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