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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	CHEMBL427492
Molecular formula	C32H39N5O5
IUPAC name	tert-butyl N-[(2R)-1-[[(2S,8S,8aR)-2-benzyl-2-carbamoyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizin-8-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight	573.694
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	4.1
Synonyms	BDBM50289201 [(R)-1-((2S,8S,8aR)-2-Benzyl-2-carbamoyl-3-oxo-octahydro-indolizin-8-ylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
Inchi Key	COAJVURUXJGOLB-GSDPCRBASA-N
Inchi ID	InChI=1S/C32H39N5O5/c1-31(2,3)42-30(41)36-25(16-21-19-34-23-13-8-7-12-22(21)23)27(38)35-24-14-9-15-37-26(24)18-32(28(33)39,29(37)40)17-20-10-5-4-6-11-20/h4-8,10-13,19,24-26,34H,9,14-18H2,1-3H3,(H2,33,39)(H,35,38)(H,36,41)/t24-,25+,26+,32-/m0/s1
PubChem CID	44386584
ChEMBL	CHEMBL427492
IUPHAR	N/A
BindingDB	50289201
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:8:967	BindingDB,ChEMBL

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