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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	CHEMBL1773891
Molecular formula	C33H29N5O3
IUPAC name	[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)pyrimidin-2-yl]-(4-quinolin-3-ylpiperazin-1-yl)methanone
Molecular weight	543.627
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.2
Synonyms	BDBM50343703 (5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-p-tolylpyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
Inchi Key	CLJJMLRNWZVICC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H29N5O3/c1-22-6-8-23(9-7-22)31-27(24-10-11-29-30(19-24)41-17-16-40-29)21-35-32(36-31)33(39)38-14-12-37(13-15-38)26-18-25-4-2-3-5-28(25)34-20-26/h2-11,18-21H,12-17H2,1H3
PubChem CID	54586148
ChEMBL	CHEMBL1773891
IUPHAR	N/A
BindingDB	50343703
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
Activity	91.0 %	PMID21493064	ChEMBL
EC50	0.73 nM	PMID21493064	BindingDB,ChEMBL
IC50	0.18 nM	PMID21493064	BindingDB,ChEMBL

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