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Ligand

NameEtorphine
Molecular formulaC25H33NO4
IUPAC name(1R,2S,6R,14R,15R,19R)-19-[(2R)-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
SynonymsM99 Injection
Etorfina [DCIT]
(-)-Etorphine
UNII-42M2Y6NU9O
19-Propylorvinol
[ Show all ]
Inchi KeyCAHCBJPUTCKATP-FAWZKKEFSA-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/t17-,18-,21-,22-,23-,24+,25-/m1/s1
PubChem CID644209
ChEMBLCHEMBL140050
IUPHARN/A
BindingDB50123599
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37158Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
37161Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
37165Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
37159Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
37162Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
37164Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
37160Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
37163Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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