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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	Rattus norvegicus (Rat)
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	444
Amino acid sequence	MSHSPARQHLVESSRMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSALQILLYSIIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLLPGIVMVVAYGLISLELYQGIKFDASQKKSAKEKKPSTGSSTRYEDSDGCYLQKSRPPRKLELQQLSSGSGGSRLNRIRSSSSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGVRGEVGEEEDGRTIRALLSRYSYSHMSTSAPPP
UniProt	P30551
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	CHEMBL2871
IUPHAR	76
DrugBank	N/A

Ligand

Name	CHEMBL59985
Molecular formula	C37H50N2O3
IUPAC name	2-adamantyl N-[2-methyl-1-oxo-1-(2-phenylethylamino)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]carbamate
Molecular weight	570.818
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	8.9
Synonyms	BDBM50289881 [1-Methyl-1-phenethylcarbamoyl-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-ethyl]-carbamic acid adamantan-2-yl ester
Inchi Key	BJEDWCPPZLYQHK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C37H50N2O3/c1-35(2)14-15-36(3,4)31-22-25(11-12-30(31)35)23-37(5,33(40)38-16-13-24-9-7-6-8-10-24)39-34(41)42-32-28-18-26-17-27(20-28)21-29(32)19-26/h6-12,22,26-29,32H,13-21,23H2,1-5H3,(H,38,40)(H,39,41)
PubChem CID	44303652
ChEMBL	CHEMBL59985
IUPHAR	N/A
BindingDB	50289881
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	19800.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:15:2009	BindingDB,ChEMBL

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