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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	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	APZXXGGVYQTMLV-UHFFFAOYSA-N SCHEMBL9865804 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 [ 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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6800.0 nM	PMID8277510	BindingDB,ChEMBL

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