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GLASS

You can:

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	CHEMBL33412
Molecular formula	C48H59N9O6
IUPAC name	[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methyl N-[2-[4-[2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]acetyl]piperazin-1-yl]ethyl]carbamate
Molecular weight	858.057
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	4.6
Synonyms	BDBM50287272 [2-(4-{2-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylamino]-acetyl}-piperazin-1-yl)-ethyl]-carbamic acid 3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-benzyl ester
Inchi Key	MCNFWRDFEGILPS-GWHBCOKCSA-N
Inchi ID	InChI=1S/C48H59N9O6/c1-54-42-20-7-6-19-41(42)44(38-15-4-2-5-16-38)52-45(46(54)59)53-47(60)51-39-17-10-14-37(31-39)35-63-48(61)50-22-25-55-26-28-57(29-27-55)43(58)33-49-21-12-30-62-40-18-11-13-36(32-40)34-56-23-8-3-9-24-56/h2,4-7,10-11,13-20,31-32,45,49H,3,8-9,12,21-30,33-35H2,1H3,(H,50,61)(H2,51,53,60)/t45-/m0/s1
PubChem CID	44281205
ChEMBL	CHEMBL33412
IUPHAR	N/A
BindingDB	50287272
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	740.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:13:1427	BindingDB,ChEMBL

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