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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	Homo sapiens (Human)
Gene	CCKAR
Synonym	cholecystokinin-1 receptor CCK1-R CCK1 receptor CCK-AR CCK-A receptor cholecystokinin receptor type A [ Show all ]
Disease	Pancreatic cancer; Obesity Eating disorder Pancreatic disease Gallstone prophylaxis; Obesity Gastrointestinal disease Obesity Obesity; Eating disorders Bladder disease Dyspepsia [ Show all ]
Length	428
Amino acid sequence	MDVVDSLLVNGSNITPPCELGLENETLFCLDQPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPNDVMQQSWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFEASQKKSAKERKPSTTSSGKYEDSDGCYLQKTRPPRKLELRQLSTGSSSRANRIRSNSSAANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTASAERRLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGARGEVGEEEEGGTTGASLSRFSYSHMSASVPPQ
UniProt	P32238
Protein Data Bank	1d6g
GPCR-HGmod model	P32238
3D structure model	This structure is from PDB ID 1d6g.
BioLiP	BL0007611
Therapeutic Target Database	T28330
ChEMBL	CHEMBL1901
IUPHAR	76
DrugBank	BE0000402

Ligand

Name	CHEMBL390519
Molecular formula	C28H35N3O4
IUPAC name	3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid
Molecular weight	477.605
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	5.3
Synonyms	RKPUHYCGNGSOCF-UHFFFAOYSA-N SCHEMBL6160887 3-{[5-(adamantan-1-yloxymethyl)-2-cyclohexyl -1H-imidazole-4-carbonyl]-amino}-benzoic acid BDBM50410544 L020977 3-{[5-(adamantan-1-yloxymethyl)-2-cyclohexyl-1H-imidazole-4-carbonyl]-amino}-benzoic acid [ Show all ]
Inchi Key	RKPUHYCGNGSOCF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H35N3O4/c32-26(29-22-8-4-7-21(12-22)27(33)34)24-23(30-25(31-24)20-5-2-1-3-6-20)16-35-28-13-17-9-18(14-28)11-19(10-17)15-28/h4,7-8,12,17-20H,1-3,5-6,9-11,13-16H2,(H,29,32)(H,30,31)(H,33,34)
PubChem CID	9832467
ChEMBL	CHEMBL390519
IUPHAR	N/A
BindingDB	50410544
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	>10000.0 nM	PMID17536796	BindingDB,ChEMBL

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