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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.
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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	CHEMBL31090
Molecular formula	C44H51N7O5
IUPAC name	4-[[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide
Molecular weight	757.936
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	5.4
Synonyms	BDBM50287246 4-{2-[2-Oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetylamino}-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-butyramide
Inchi Key	OSTNHMODDQIWKV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C44H51N7O5/c1-32-14-10-18-35(28-32)47-44(55)49-42-43(54)51(38-21-7-6-20-37(38)41(48-42)34-16-4-2-5-17-34)31-40(53)46-23-12-22-39(52)45-24-13-27-56-36-19-11-15-33(29-36)30-50-25-8-3-9-26-50/h2,4-7,10-11,14-21,28-29,42H,3,8-9,12-13,22-27,30-31H2,1H3,(H,45,52)(H,46,53)(H2,47,49,55)
PubChem CID	44280224
ChEMBL	CHEMBL31090
IUPHAR	N/A
BindingDB	50287246
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	900.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:13:1421	BindingDB,ChEMBL

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