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Ligand

NameCHEMBL99496
Molecular formulaC18H27NOS
IUPAC name(1S,9R,13S)-1,13-dimethyl-10-[(2S)-2-methylsulfanylpropyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight305.48
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
Synonyms(2R,6S,11S)-6,11-Dimethyl-3-((S)-2-methylsulfanyl-propyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
BDBM50059803
Inchi KeyAVARGYDBMBNCKN-DECQCQTCSA-N
Inchi IDInChI=1S/C18H27NOS/c1-12(21-4)11-19-8-7-18(3)13(2)17(19)9-14-5-6-15(20)10-16(14)18/h5-6,10,12-13,17,20H,7-9,11H2,1-4H3/t12-,13+,17+,18-/m0/s1
PubChem CID44330799
ChEMBLCHEMBL99496
IUPHARN/A
BindingDB50059803
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
15134Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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