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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	CHEMBL33819
Molecular formula	C43H49N7O6
IUPAC name	2-[[2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Molecular weight	759.908
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	5.2
Synonyms	2-{3-[1-Methyl-2-oxo-3-(3-m-tolyl-ureido)-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-phenoxy}-N-{[3-(3-piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-methyl}-acetamide BDBM50287243
Inchi Key	KBPBCEDQPUACDU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C43H49N7O6/c1-30-12-8-15-33(24-30)46-43(54)48-41-42(53)49(2)37-19-5-4-18-36(37)40(47-41)32-14-10-17-35(26-32)56-29-39(52)45-27-38(51)44-20-11-23-55-34-16-9-13-31(25-34)28-50-21-6-3-7-22-50/h4-5,8-10,12-19,24-26,41H,3,6-7,11,20-23,27-29H2,1-2H3,(H,44,51)(H,45,52)(H2,46,48,54)
PubChem CID	44280388
ChEMBL	CHEMBL33819
IUPHAR	N/A
BindingDB	50287243
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	5200.0 nM	Bioorg. Med. Chem. Lett., (1996) 6:13:1421,	BindingDB,ChEMBL

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