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Ligand

NameBDBM85393
Molecular formulaC27H27ClN2O4
IUPAC name(Z)-N-[(7aR)-9-methoxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-chlorophenyl)prop-2-enamide
Molecular weight478.973
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsN/A
Inchi KeyLCRBGGVXFPUISF-SCAQGMLASA-N
Inchi IDInChI=1S/C27H27ClN2O4/c1-30-14-13-26-23-17-6-9-20(33-2)24(23)34-25(26)19(31)11-12-27(26,21(30)15-17)29-22(32)10-5-16-3-7-18(28)8-4-16/h3-10,21,25H,11-15H2,1-2H3,(H,29,32)/b10-5-/t21?,25-,26?,27?/m0/s1
PubChem CID57340105
ChEMBLN/A
IUPHARN/A
BindingDB85393
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
184205Kappa-type opioid receptorQ2KIP6OPRK1Bos taurus (Bovine)380
184206Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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