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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	CHEMBL357983
Molecular formula	C30H34N4O6
IUPAC name	(4R)-5-(N-[2-(4-methoxy-N-propan-2-ylanilino)-2-oxoethyl]anilino)-5-oxo-4-(phenylcarbamoylamino)pentanoic acid
Molecular weight	546.624
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.8
Synonyms	BDBM50450536 SCHEMBL8095828
Inchi Key	AJNASFIBGRDDNH-AREMUKBSSA-N
Inchi ID	InChI=1S/C30H34N4O6/c1-21(2)34(24-14-16-25(40-3)17-15-24)27(35)20-33(23-12-8-5-9-13-23)29(38)26(18-19-28(36)37)32-30(39)31-22-10-6-4-7-11-22/h4-17,21,26H,18-20H2,1-3H3,(H,36,37)(H2,31,32,39)/t26-/m1/s1
PubChem CID	44365359
ChEMBL	CHEMBL357983
IUPHAR	N/A
BindingDB	50450536
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	251.0 nM	N/A	BindingDB
IC50	251.19 nM	Bioorg. Med. Chem. Lett., (1997) 7:5:511	ChEMBL

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