Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50274913
Substrate
n/a
Meas. Tech.
ChEMBL_494303 (CHEMBL938635)
Ki
10600±n/a nM
Citation
 Holl, R; Schepmann, D; Grünert, R; Bednarski, PJ; Wünsch, B Relationships between the structure of 6-allyl-6,8-diazabicyclo[3.2.2]nonane derivatives and their sigma receptor affinity and cytotoxic activity. Bioorg Med Chem 17:777-93 (2009) [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:
BDBM50274913
Synonyms:
(+)-(1S,2R,5R)-6-allyl-8-(2,4-dimethoxybenzyl)-2-methoxy-6,8-diazabicyclo[3.2.2]nonane | CHEMBL456451
Type:
Small organic molecule
Emp. Form.:
C20H30N2O3
Mol. Mass.:
346.4638
SMILES:
CO[C@@H]1CC[C@@H]2CN(Cc3ccc(OC)cc3OC)[C@H]1CN2CC=C |r,TLB:1:2:21.20:6.7,22:21:6.7:4.3.2,8:7:21.20:4.3.2|
Structure:
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