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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Cholecystokinin receptor type A
Species	Rattus norvegicus (Rat)
Gene	Cckar
Synonym	CCK-A receptor CCK-AR CCK1 receptor CCK1-R cholecystokinin receptor type A cholecystokinin-1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	444
Amino acid sequence	MSHSPARQHLVESSRMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSALQILLYSIIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLLPGIVMVVAYGLISLELYQGIKFDASQKKSAKEKKPSTGSSTRYEDSDGCYLQKSRPPRKLELQQLSSGSGGSRLNRIRSSSSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGVRGEVGEEEDGRTIRALLSRYSYSHMSTSAPPP
UniProt	P30551
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2871
IUPHAR	76
DrugBank	N/A

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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5800.0 nM	PMID2153212	BindingDB,ChEMBL

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