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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL31726
Molecular formula	C37H42N10O5S2
IUPAC name	N-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-[[2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]acetyl]amino]butanamide
Molecular weight	770.928
Hydrogen bond acceptor	10
Hydrogen bond donor	6
XlogP	2.7
Synonyms	N-[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethyl]-4-(2-{3-[1-methyl-2-oxo-3-(3-m-tolyl-ureido)-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-phenoxy}-acetylamino)-butyramide BDBM50287232
Inchi Key	YHFQPSCSFUPBHC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C37H42N10O5S2/c1-23-8-5-10-25(18-23)42-36(51)45-33-34(50)47(2)29-13-4-3-12-28(29)32(44-33)24-9-6-11-27(19-24)52-20-31(49)40-15-7-14-30(48)41-16-17-53-21-26-22-54-37(43-26)46-35(38)39/h3-6,8-13,18-19,22,33H,7,14-17,20-21H2,1-2H3,(H,40,49)(H,41,48)(H2,42,45,51)(H4,38,39,43,46)
PubChem CID	44280214
ChEMBL	CHEMBL31726
IUPHAR	N/A
BindingDB	50287232
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2100.0 nM	Bioorg. Med. Chem. Lett., (1996) 6:13:1421,	BindingDB,ChEMBL

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