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Ligand

NameCACO
Molecular formulaC27H27N3O6
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-nitrophenyl)prop-2-enamide
Molecular weight489.528
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM85396
Inchi KeyVSIGMWSIMODNPX-SCAQGMLASA-N
Inchi IDInChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5-/t21?,25-,26?,27?/m0/s1
PubChem CID57340108
ChEMBLN/A
IUPHARN/A
BindingDB85396
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
363056Kappa-type opioid receptorQ2KIP6OPRK1Bos taurus (Bovine)380
363055Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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