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Ligand

NameCHEMBL3759541
Molecular formulaC35H36N4O4
IUPAC name(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[2-oxo-2-(N-phenylanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Molecular weight576.697
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.7
SynonymsBDBM50142703
Inchi KeyAAUPKJITIZNIAU-AJQTZOPKSA-N
Inchi IDInChI=1S/C35H36N4O4/c1-23-17-29(40)18-24(2)30(23)20-31(36)35(43)38-22-26-12-10-9-11-25(26)19-32(38)34(42)37-21-33(41)39(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-18,31-32,40H,19-22,36H2,1-2H3,(H,37,42)/t31-,32+/m0/s1
PubChem CID127029282
ChEMBLCHEMBL3759541
IUPHARN/A
BindingDB50142703
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
521450Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
521451Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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