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Ligand

Namepentazocine
Molecular formulaC19H27NO
IUPAC name(1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Molecular weight285.431
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.3
SynonymsL-pentazocine
Pentazocinum
Pentazocaine
Pentazocina
Liticon
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Inchi KeyVOKSWYLNZZRQPF-GDIGMMSISA-N
Inchi IDInChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
PubChem CID441278
ChEMBLCHEMBL560
IUPHAR1606
BindingDB50001028
DrugBankDB00652

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 9
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GLASS IDNameUniProtGeneSpeciesLength
360209D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
556974D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444
360210Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
462315Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
360207Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
360208Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
360211Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
360212Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
360213Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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