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Ligand

NameCHEMBL114203
Molecular formulaC14H19NO
IUPAC name(1S,13R)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight217.312
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP1.3
Synonyms(6S)-6alpha,11alpha-Dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
BDBM50037483
SCHEMBL14619144
(6S,11R)-6,11-Dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
Inchi KeyDXESFJJJWBHLJX-NCMRHJMASA-N
Inchi IDInChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3/t9-,13?,14-/m0/s1
PubChem CID12371110
ChEMBLCHEMBL114203
IUPHARN/A
BindingDB50037483
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
71229Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
71227Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
523626Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330
71226Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
71228Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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