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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL205455
Molecular formula	C29H34N4O5
IUPAC name	3-[[2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid
Molecular weight	518.614
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.8
Synonyms	FYFOJUSNDFLZLR-UHFFFAOYSA-N 3-{2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl]-acetylamino}-benzoic Acid L022189 SCHEMBL3909359 BDBM50410847
Inchi Key	FYFOJUSNDFLZLR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H34N4O5/c1-29(2,3)24(34)17-32-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)31-33(28(32)38)18-25(35)30-21-13-9-12-20(16-21)27(36)37/h7-9,12-16,19H,4-6,10-11,17-18H2,1-3H3,(H,30,35)(H,36,37)
PubChem CID	11527738
ChEMBL	CHEMBL205455
IUPHAR	N/A
BindingDB	50410847
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	>10000.0 nM	PMID17536796	BindingDB,ChEMBL
Ki	10000.0 nM	PMID18289857	ChEMBL
Ki	11220.2 nM	PMID16570921	ChEMBL

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