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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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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	CHEMBL168253
Molecular formula	C26H31N9O2
IUPAC name	1-[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[4-methyl-3-[methyl(2H-tetrazol-5-yl)amino]phenyl]urea
Molecular weight	501.595
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.8
Synonyms	1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-{4-methyl-3-[methyl-(1H-tetrazol-5-yl)-amino]-phenyl}-urea BDBM50049785 SCHEMBL9545573 1-[(2,3-Dihydro-1-methyl-5-cyclohexyl-2-oxo-1H-1,4-benzodiazepin)-3alpha-yl]-3-[3-[(1H-tetrazol-5-yl)(methyl)amino]-4-methylphenyl]urea
Inchi Key	BIOMOYOMCAMNGH-QHCPKHFHSA-N
Inchi ID	InChI=1S/C26H31N9O2/c1-16-13-14-18(15-21(16)35(3)25-30-32-33-31-25)27-26(37)29-23-24(36)34(2)20-12-8-7-11-19(20)22(28-23)17-9-5-4-6-10-17/h7-8,11-15,17,23H,4-6,9-10H2,1-3H3,(H2,27,29,37)(H,30,31,32,33)/t23-/m0/s1
PubChem CID	10673039
ChEMBL	CHEMBL168253
IUPHAR	N/A
BindingDB	50049785
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1600.0 nM	PMID8632408	BindingDB,ChEMBL

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