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Ligand

NameCHEMBL3400274
Molecular formulaC31H36N2O3
IUPAC namemethyl 2-[4-[4-[[(2S,3S)-2-amino-3-methylpentyl]-[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]acetate
Molecular weight484.64
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50065939
Inchi KeyBDERACRGFUVSBP-AGMJPXHESA-N
Inchi IDInChI=1S/C31H36N2O3/c1-4-21(2)29(32)20-33(31(35)28-19-27(28)25-8-6-5-7-9-25)26-16-14-24(15-17-26)23-12-10-22(11-13-23)18-30(34)36-3/h5-17,21,27-29H,4,18-20,32H2,1-3H3/t21-,27-,28+,29+/m0/s1
PubChem CID118727683
ChEMBLCHEMBL3400274
IUPHARN/A
BindingDB50065939
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442496Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

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