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Ligand

NameCHEMBL3359280
Molecular formulaC29H31FO8
IUPAC namemethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-acetyloxy-2-[2-(2-fluorophenyl)furan-3-yl]-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular weight526.557
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50034521
Inchi KeyADCRZEDTDIVBHR-LYQANMFSSA-N
Inchi IDInChI=1S/C29H31FO8/c1-15(31)37-21-13-19(26(33)35-4)28(2)11-9-18-27(34)38-22(14-29(18,3)25(28)23(21)32)17-10-12-36-24(17)16-7-5-6-8-20(16)30/h5-8,10,12,18-19,21-22,25H,9,11,13-14H2,1-4H3/t18-,19-,21-,22-,25-,28-,29-/m0/s1
PubChem CID118723393
ChEMBLCHEMBL3359280
IUPHARN/A
BindingDB50034521
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
441758Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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