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Ligand

NameCHEMBL265195
Molecular formulaC28H29NO10
IUPAC namemethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-9-(4-nitrobenzoyl)oxy-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular weight539.537
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50376848
Inchi KeyAIYZBEMRHIYEJI-XAGHGKQISA-N
Inchi IDInChI=1S/C28H29NO10/c1-27-10-8-18-26(33)39-21(16-9-11-37-14-16)13-28(18,2)23(27)22(30)20(12-19(27)25(32)36-3)38-24(31)15-4-6-17(7-5-15)29(34)35/h4-7,9,11,14,18-21,23H,8,10,12-13H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1
PubChem CID24854177
ChEMBLCHEMBL265195
IUPHARN/A
BindingDB50376848
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6666Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
6665Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
6664Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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