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Ligand

Name(+)-Cyclazocine
Molecular formulaC18H25NO
IUPAC name(1S,9S,13S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight271.404
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.6
Synonyms(+)-alpha-Cyclazocine
(+)-cis-Cyclazocine
(2S,6S,11S)-3-(Cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
(2S,6S,11S)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
(SSS)-12-Cyclopropylmethyl-13-methyl-12-aza-tricyclo[9.1.1.0*3,8*]trideca-3(8),4,6-trien-6-ol(cyclazocine)
[ Show all ]
Inchi KeyYQYVFVRQLZMJKJ-UUWFMWQGSA-N
Inchi IDInChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m1/s1
PubChem CID6603759
ChEMBLCHEMBL293349
IUPHARN/A
BindingDB50001022
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
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GLASS IDNameUniProtGeneSpeciesLength
417126Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
462759Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
417123Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
417128Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
417127Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
557213Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
417125Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
417124Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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