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Ligand

NameCHEMBL271077
Molecular formulaC24H31FO8
IUPAC namemethyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(2-fluoroethoxymethoxy)-2-(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 weight466.502
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP2.8
Synonymssalvinorin B 2-fluoroethoxymethyl ether
BDBM50374637
D01FPD
Inchi KeyBESVDGAGHUYOPY-WFOQEEKOSA-N
Inchi IDInChI=1S/C24H31FO8/c1-23-6-4-15-22(28)33-18(14-5-8-30-12-14)11-24(15,2)20(23)19(26)17(32-13-31-9-7-25)10-16(23)21(27)29-3/h5,8,12,15-18,20H,4,6-7,9-11,13H2,1-3H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
PubChem CID44456375
ChEMBLCHEMBL271077
IUPHARN/A
BindingDB50374637
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21870Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
21871Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
21872Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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