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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	CHEMBL336690
Molecular formula	C22H26FN3O2
IUPAC name	2-methylpropyl N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]carbamate
Molecular weight	383.467
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.4
Synonyms	SCHEMBL9501135 ACRQLKKCZLFLPH-UHFFFAOYSA-N 1-methyl-2-[(2-methylpropoxy)carbonyl]aminomethyl-5-(2'-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine [5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-carbamic acid isobutyl ester BDBM50013179 N-[[5-(2-Fluorophenyl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepin]-2-ylmethyl]carbamic acid isobutyl ester [ Show all ]
Inchi Key	ACRQLKKCZLFLPH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26FN3O2/c1-15(2)14-28-22(27)25-13-16-12-24-21(17-8-4-6-10-19(17)23)18-9-5-7-11-20(18)26(16)3/h4-11,15-16H,12-14H2,1-3H3,(H,25,27)
PubChem CID	19766222
ChEMBL	CHEMBL336690
IUPHAR	N/A
BindingDB	50013179
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
1847	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
1848	Gastrin/cholecystokinin type B receptor	P32239	CCKBR	Homo sapiens (Human)	447

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