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GLASS

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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	CHEMBL505727
Molecular formula	C34H32N4O4
IUPAC name	3-[4-[1-(3-ethoxyphenyl)-2-(4-methylphenyl)imidazole-4-carbonyl]piperazin-1-yl]naphthalene-1-carboxylic acid
Molecular weight	560.654
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	6.2
Synonyms	3-(4-{[1-(3-Ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)naphthalene-1-carboxylic acid SCHEMBL502146 BDBM50245180 1-Naphthalenecarboxylic acid,3-[4-[[1-(3-ethoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]carbonyl]-1-piperazinyl]- DTXSID6047731 ZINC42834699 3-(4-(1-(3-ethoxyphenyl)-2-p-tolyl-1H-imidazole-4-carbonyl)piperazin-1-yl)-1-naphthoic acid KB-66374 954397-95-6 [ Show all ]
Inchi Key	HMGSYODAZJHCRL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H32N4O4/c1-3-42-28-9-6-8-26(20-28)38-22-31(35-32(38)24-13-11-23(2)12-14-24)33(39)37-17-15-36(16-18-37)27-19-25-7-4-5-10-29(25)30(21-27)34(40)41/h4-14,19-22H,3,15-18H2,1-2H3,(H,40,41)
PubChem CID	16755781
ChEMBL	CHEMBL505727
IUPHAR	N/A
BindingDB	50245180
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	105.0 %	PMID18614364, PMID18684621	ChEMBL
EC50	0.094 nM	PMID18614364, PMID18684621	BindingDB,ChEMBL
IC50	0.12 nM	PMID18614364, PMID18684621	BindingDB,ChEMBL

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