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Ligand

NameMLS002473875
Molecular formulaC35H38N4O5
IUPAC nameN-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]pyridine-4-carboxamide
Molecular weight594.712
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.6
SynonymsCHEMBL1703737
SCHEMBL12697318
CHEBI:94853
HMS2192P04
SMR001398036
[ Show all ]
Inchi KeyACSVFUACEODJDN-BRUQSJHLSA-N
Inchi IDInChI=1S/C35H38N4O5/c1-24-20-39(25(2)23-40)35(42)30-10-7-11-31(37-34(41)27-16-18-36-19-17-27)33(30)44-32(24)22-38(3)21-26-12-14-29(15-13-26)43-28-8-5-4-6-9-28/h4-19,24-25,32,40H,20-23H2,1-3H3,(H,37,41)/t24-,25+,32+/m0/s1
PubChem CID44202487
ChEMBLCHEMBL1703737
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1885Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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