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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	CHEMBL2110202
Molecular formula	C25H29N9O2
IUPAC name	1-[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-[(2H-tetrazol-5-ylamino)methyl]phenyl]urea
Molecular weight	487.568
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	3.2
Synonyms	BDBM50454482 SCHEMBL9545564 1-[(2,3-Dihydro-1-methyl-5-cyclohexyl-2-oxo-1H-1,4-benzodiazepin)-3alpha-yl]-3-[3-[[(1H-tetrazol-5-yl)amino]methyl]phenyl]urea
Inchi Key	AFCASZXVWNVMJE-QFIPXVFZSA-N
Inchi ID	InChI=1S/C25H29N9O2/c1-34-20-13-6-5-12-19(20)21(17-9-3-2-4-10-17)28-22(23(34)35)29-25(36)27-18-11-7-8-16(14-18)15-26-24-30-32-33-31-24/h5-8,11-14,17,22H,2-4,9-10,15H2,1H3,(H2,27,29,36)(H2,26,30,31,32,33)/t22-/m0/s1
PubChem CID	10719765
ChEMBL	CHEMBL2110202
IUPHAR	N/A
BindingDB	50454482
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
4026	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
4025	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447

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