Reaction Details | |||
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Target | Sigma non-opioid intracellular receptor 1 | ||
Ligand | BDBM50001028 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1584466 (CHEMBL3820113) | ||
Ki | 36±n/a nM | ||
Citation | Weber, F; Brune, S; Börgel, F; Lange, C; Korpis, K; Bednarski, PJ; Laurini, E; Fermeglia, M; Pricl, S; Schepmann, D; Wünsch, B Rigidity versus Flexibility: Is This an Issue ins1 Receptor Ligand Affinity and Activity? J Med Chem59:5505-19 (2016) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Sigma non-opioid intracellular receptor 1 | |||
Name: | Sigma non-opioid intracellular receptor 1 | ||
Synonyms: | Aging-associated gene 8 protein | OPRS1 | SGMR1_HUMAN | SIG-1R | SIGMAR1 | SR-BP | SR31747-binding protein | SRBP | Sigma 1-type opioid receptor | Sigma opioid receptor | Sigma1R | hSigmaR1 | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 25124.85 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q99720 | ||
Residue: | 223 | ||
Sequence: |
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BDBM50001028 | |||
n/a | |||
Name | BDBM50001028 | ||
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 | US10736890, Compound TABLE B.8 | US11534436, Compound 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 | ||
Type | Small 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 |