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Ligand

NameBDBM50098673
Molecular formulaC25H24N2O3
IUPAC name(1S,2S,13R)-22-prop-1-en-2-yl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
Molecular weight400.478
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.7
Synonyms17-(2-methyl-2-propenyl)-6,7-dehydro-4,5alpha-epoxy-3,14-dihydroxy-6,7:2'',3''-indolomorphinan
Inchi KeyAQESDYHCPQZRRJ-DYZJZLFBSA-N
Inchi IDInChI=1S/C25H24N2O3/c1-13(2)27-10-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(12-25(24,29)19(27)11-14)15-5-3-4-6-17(15)26-21/h3-8,19,23,26,28-29H,1,9-12H2,2H3/t19?,23-,24-,25+/m0/s1
PubChem CID44282803
ChEMBLN/A
IUPHARN/A
BindingDB50098673
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
11614Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
11613Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
11612Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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