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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Cholecystokinin receptor type A
Species	Mus musculus (Mouse)
Gene	Cckar
Synonym	CCK-A receptor CCK-AR CCK1 receptor CCK1-R cholecystokinin receptor type A Cholecystokinin-1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	436
Amino acid sequence	MDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSAVQILLYSFIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLIPGVVMVVAYGLISLELYQGIKFDASQKKSAKEKRLSSGGGGGGGSSSSRYEDSDGCYLQKSRPPRKLELQQLSTSSSGGRINRIRSSGSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPTGVRGEVGEEEDGRTIRASLSRYSYSHMSTSAPPH
UniProt	O08786
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2798
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL353148
Molecular formula	C37H41N5O4
IUPAC name	(2S)-N-[(2S)-1-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
Molecular weight	619.766
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	5.5
Synonyms	(E)-N-[(S)-1-[(S)-1-((S)-3-Benzyl-5-oxo-piperazine-1-carbonyl)-3-methyl-butylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-3-phenyl-acrylamide BDBM50284161
Inchi Key	ZVRFDDIXIMHJLH-DJHGZAOCSA-N
Inchi ID	InChI=1S/C37H41N5O4/c1-25(2)19-33(37(46)42-23-29(39-35(44)24-42)20-27-13-7-4-8-14-27)41-36(45)32(21-28-22-38-31-16-10-9-15-30(28)31)40-34(43)18-17-26-11-5-3-6-12-26/h3-18,22,25,29,32-33,38H,19-21,23-24H2,1-2H3,(H,39,44)(H,40,43)(H,41,45)/b18-17+/t29-,32-,33-/m0/s1
PubChem CID	44382624
ChEMBL	CHEMBL353148
IUPHAR	N/A
BindingDB	N/A
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
IC50	520.0 nM	Bioorg. Med. Chem. Lett., (1994) 4:7:867	ChEMBL

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