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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Cholecystokinin receptor type A
Species	Cavia porcellus (Guinea pig)
Gene	CCKAR
Synonym	CCK-A receptor CCK-AR CCK1-R Cholecystokinin-1 receptor
Disease	N/A for non-human GPCRs
Length	430
Amino acid sequence	MDVVDSLFVNGSNITSACELGFENETLFCLDRPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPSLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTGNMCRFLLPNDVMQQTWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFDAIQKKSAKERKTSTGSSGPMEDSDGCYLQKSRHPRKLELRQLSPSSSGSNRINRIRSSSSTANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAERHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGTPGVRGEMGEEEEGRTTGASLSRYSYSHMSTSAPPP
UniProt	Q63931
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	CHEMBL3501
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL127397
Molecular formula	C30H34N4O3
IUPAC name	N-tert-butyl-2-[(3R,5R)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
Molecular weight	498.627
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	4.6
Synonyms	N-tert-Butyl-2-[(3R,5R)-2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl]-acetamide N-tert-Butyl-2-[[2,3,4,5-tetrahydro-2-oxo-5alpha-phenyl-3alpha-[[[(3-methylphenyl)amino]carbonyl]amino]-1H-1-benzazepin]-1-yl]acetamide BDBM50037868
Inchi Key	ALSNOSFKYCYLJH-JWQCQUIFSA-N
Inchi ID	InChI=1S/C30H34N4O3/c1-20-11-10-14-22(17-20)31-29(37)32-25-18-24(21-12-6-5-7-13-21)23-15-8-9-16-26(23)34(28(25)36)19-27(35)33-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H,33,35)(H2,31,32,37)/t24-,25-/m1/s1
PubChem CID	10255357
ChEMBL	CHEMBL127397
IUPHAR	N/A
BindingDB	50037868
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	288.0 nM	PMID7966138	BindingDB,ChEMBL

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