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Ligand

NameEtorphine
Molecular formulaC25H33NO4
IUPAC name19-(2-hydroxypentan-2-yl)-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
Molecular weight411.542
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.1
Synonyms19-Propylorvinol
6,14-endo-Ethenotetrahydrooripavine, 7.alpha.-((R)-1-hydroxy-1-methylbutyl)-
6,14-endo-Ethenotetrahydrooripavine, 7.alpha.-(1-hydroxy-1-methylbutyl)-
6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-3-hydroxy-6-methoxy-.alpha.,17-dimethyl-.alpha.-propyl-, [5.alpha.,7.alpha.(R)]-
6,7,8,14-Tetrahydro-7.alpha.-(1-hydroxy-1-methylbutyl)-6,14-endo-ethenooripavine
[ Show all ]
Inchi KeyCAHCBJPUTCKATP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3
PubChem CID518962
ChEMBLN/A
IUPHAR1625
BindingDB82425
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: 7
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GLASS IDNameUniProtGeneSpeciesLength
37182Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
459551Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
37181Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
37183Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
37184Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
37185Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
553435Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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