Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50346473
Substrate
n/a
Meas. Tech.
ChEMBL_751949 (CHEMBL1785791)
Ki
221±n/a nM
Citation
 Sunnam, SK; Rack, E; Schepmann, D; Wünsch, B Synthesis of 7,9-diazabicyclo[4.2.2]decanes as conformationally restricted κ receptor agonists: fine tuning of the dihedral angle of the ethylenediamine pharmacophore. Eur J Med Chem 46:1972-82 (2011) [PubMed]  Article 
Target
Name:
Sigma non-opioid intracellular receptor 1
Synonyms:
OPRS1 | SGMR1_CAVPO | SIGMAR1 | Sigma 1-type opioid receptor | Sigma non-opioid intracellular receptor 1 | 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:
MQWAVGRRWLWVALFLAAVAVLTQIVWLWLGTQNFVFQREEIAQLARQYAGLDHELAFSKLIVELRRLHPVHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSPRHSGRYWAEISDTIISGTFHQWREGTTKSEVFYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPSTLGFALADTVFSTQDFLTLFYTLRVYARALQLELTTYLFGQDP
  
Inhibitor
Name:
BDBM50346473
Synonyms:
CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-yl)-7,9-diaza-bicyclo[4.2.2]decane | rel-(1RS,2SR,6SR)-7-benzyl-9-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-yl)-7,9-diazabicyclo[4.2.2]decane
Type:
Small organic molecule
Emp. Form.:
C27H33Cl2N3O
Mol. Mass.:
486.476
SMILES:
Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
Structure:
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