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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	CHEMBL135988
Molecular formula	C21H24N4O2
IUPAC name	1-tert-butyl-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea
Molecular weight	364.449
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.4
Synonyms	1-tert-Butyl-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea MS-8998 BDBM50043542 119506-63-7 KS-00003Q1C AKOS022170112 N-(2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-(1,1-dimethylethyl)-urea 1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-diazepin-3-yl)-3-(tert-butyl)urea 3-tert-butyl-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea MolPort-028-934-051 APZXXGGVYQTMLV-UHFFFAOYSA-N SCHEMBL9865804 [ Show all ]
Inchi Key	APZXXGGVYQTMLV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N4O2/c1-21(2,3)24-20(27)23-18-19(26)25(4)16-13-9-8-12-15(16)17(22-18)14-10-6-5-7-11-14/h5-13,18H,1-4H3,(H2,23,24,27)
PubChem CID	10361419
ChEMBL	CHEMBL135988
IUPHAR	N/A
BindingDB	50043542
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
11507	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
11508	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447

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