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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
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	CHEMBL355778
Molecular formula	C36H47N5O7
IUPAC name	2-[(2S,5S)-1-[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]-3-oxo-5-(2-phenylethyl)piperazin-2-yl]acetic acid
Molecular weight	661.8
Hydrogen bond acceptor	7
Hydrogen bond donor	5
XlogP	4.7
Synonyms	((2S,5S)-1-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoyl}-3-oxo-5-phenethyl-piperazin-2-yl)-acetic acid BDBM50284151
Inchi Key	GFKUUQKTBYWHFE-ABYARXGNSA-N
Inchi ID	InChI=1S/C36H47N5O7/c1-22(2)17-29(34(46)41-21-25(16-15-23-11-7-6-8-12-23)38-33(45)30(41)19-31(42)43)39-32(44)28(40-35(47)48-36(3,4)5)18-24-20-37-27-14-10-9-13-26(24)27/h6-14,20,22,25,28-30,37H,15-19,21H2,1-5H3,(H,38,45)(H,39,44)(H,40,47)(H,42,43)/t25-,28-,29-,30-/m0/s1
PubChem CID	44382748
ChEMBL	CHEMBL355778
IUPHAR	N/A
BindingDB	50284151
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	630.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:7:867	BindingDB,ChEMBL

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