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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	CHEMBL124917
Molecular formula	C20H29ClN2O4
IUPAC name	4-[(3-chlorobenzoyl)amino]-5-(2-ethylhexylamino)-5-oxopentanoic acid
Molecular weight	396.912
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	4.2
Synonyms	BDBM50008168 4-(3-Chloro-benzoylamino)-4-(2-ethyl-hexylcarbamoyl)-butyric acid
Inchi Key	ACLQSJUIELMEPI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H29ClN2O4/c1-3-5-7-14(4-2)13-22-20(27)17(10-11-18(24)25)23-19(26)15-8-6-9-16(21)12-15/h6,8-9,12,14,17H,3-5,7,10-11,13H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)
PubChem CID	44349412
ChEMBL	CHEMBL124917
IUPHAR	N/A
BindingDB	50008168
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	PMID1732532	BindingDB,ChEMBL
Ratio	0.7 -	PMID1732532	ChEMBL

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