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TargetSigma-1 receptor
LigandBDBM50001028
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1685095
Ki 4.2±n/a nM
Citation Knappmann ILehmkuhl KKöhler JSchepmann DGiera MBracher FWünsch B Lipase-catalyzed kinetic resolution as key step in the synthesis of enantiomerically pure? ligands with 2-benzopyran structure. Bioorg Med Chem 25:3384-3395 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Sigma-1 receptor
Name:Sigma-1 receptor
Synonyms:OPRS1 | SIGMAR1 | Sigma 1-type opioid receptor | Sigma-1 receptor | Sigma1-receptor | Sigma1R | Sterol isomerase-like protein
Type:Protein
Mol. Mass.:25307.17
Organism:Cavia porcellus (Guinea pig)
Description:Q60492
Residue:223
Sequence:
MQWAVGRRWLWVALFLAAVAVLTQIVWLWLGTQNFVFQREEIAQLARQYAGLDHELAFSK
LIVELRRLHPVHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSPRHSGRY
WAEISDTIISGTFHQWREGTTKSEVFYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPS
TLGFALADTVFSTQDFLTLFYTLRVYARALQLELTTYLFGQDP
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BDBM50001028
n/a
NameBDBM50001028
Synonyms:(+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol | (6R,11S)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol | 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol | 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Pentazocine) | CHEMBL560 | PENTAZOCINE (+) | PENTAZOCINE (-) | Pentazocine | Pentazocine,(+/-) | Talacen | Talwin | US10231963, Table B.8 | US9656961, Example 00125 | rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
TypeSmall organic molecule
Emp. Form.C19H27NO
Mol. Mass.285.4238
SMILES[#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10|
Structure
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