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Ligand

NameCHEMBL3426702
Molecular formulaC40H43N5O6
IUPAC name[1-[2-[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
Molecular weight689.813
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP4.1
SynonymsBDBM50084427
Inchi KeyAAWDKUPZMHITDM-BHVANESWSA-N
Inchi IDInChI=1S/C40H43N5O6/c1-44(23-24-45-21-19-30(20-22-45)51-40(50)42-34-10-6-5-9-31(34)28-7-3-2-4-8-28)39(49)29-13-11-27(12-14-29)25-41-26-36(47)32-15-17-35(46)38-33(32)16-18-37(48)43-38/h2-18,30,36,41,46-47H,19-26H2,1H3,(H,42,50)(H,43,48)/t36-/m0/s1
PubChem CID118737355
ChEMBLCHEMBL3426702
IUPHARN/A
BindingDB50084427
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
441690Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
441691Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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