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Ligand

NameSCHEMBL738884
Molecular formulaC46H54N6O7
IUPAC name[1-[3-[[5-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-2-methylanilino]-5-oxopentyl]-methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
Molecular weight802.973
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP4.3
SynonymsBDBM103748
CHEMBL3645283
US8551978, I-15
Inchi KeyAFEIULHOTSQERY-RWYGWLOXSA-N
Inchi IDInChI=1S/C46H54N6O7/c1-31-28-32(29-47-30-41(54)36-16-19-40(53)45-37(36)17-20-43(56)50-45)15-18-38(31)48-42(55)14-8-9-24-51(2)44(57)23-27-52-25-21-34(22-26-52)59-46(58)49-39-13-7-6-12-35(39)33-10-4-3-5-11-33/h3-7,10-13,15-20,28,34,41,47,53-54H,8-9,14,21-27,29-30H2,1-2H3,(H,48,55)(H,49,58)(H,50,56)/t41-/m0/s1
PubChem CID59548122
ChEMBLCHEMBL3645283
IUPHARN/A
BindingDB103748
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
533923Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
4080Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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