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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	CHEMBL259557
Molecular formula	C32H37N5O4S
IUPAC name	2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,3,5-benzotriazepin-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
Molecular weight	587.739
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.7
Synonyms	SCHEMBL5445087 BDBM50411974 CIOVKGNUGVLAMD-UHFFFAOYSA-N 2-[1-Cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-2,4-dioxo-1,2,4,5-tetrahydro-1,3,5-benzotriazepin-3-yl]-N-[3-(2-methyl-thiazol-4-yl)-phenyl]-acetamide
Inchi Key	CIOVKGNUGVLAMD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H37N5O4S/c1-21-33-25(20-42-21)22-11-10-12-23(17-22)34-29(39)19-36-30(40)35(18-28(38)32(2,3)4)26-15-8-9-16-27(26)37(31(36)41)24-13-6-5-7-14-24/h8-12,15-17,20,24H,5-7,13-14,18-19H2,1-4H3,(H,34,39)
PubChem CID	44451877
ChEMBL	CHEMBL259557
IUPHAR	N/A
BindingDB	50411974
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1548.82 nM	PMID18289857	ChEMBL

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