Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50521524
Substrate
n/a
Meas. Tech.
ChEMBL_1884526 (CHEMBL4386108)
Ki
8.2±n/a nM
Citation
 Kronenberg, E; Weber, F; Brune, S; Schepmann, D; Almansa, C; Friedland, K; Laurini, E; Pricl, S; Wünsch, B Synthesis and Structure-Affinity Relationships of Spirocyclic Benzopyrans with Exocyclic Amino Moiety. J Med Chem 62:4204-4217 (2019) [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:
BDBM50521524
Synonyms:
CHEMBL4470646
Type:
Small organic molecule
Emp. Form.:
C22H33NO2
Mol. Mass.:
343.5029
SMILES:
COC1O[C@@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)c2ccccc12 |r,wU:4.3,7.10,(63.79,-45.21,;62.29,-45.54,;61.82,-47,;62.73,-48.24,;61.83,-49.49,;60.74,-50.58,;61.13,-52.06,;62.62,-52.47,;63.71,-51.39,;63.32,-49.89,;63.01,-53.96,;61.92,-55.04,;64.49,-54.37,;65.59,-53.28,;67.07,-53.7,;68.16,-52.63,;67.78,-51.14,;66.29,-50.73,;65.19,-51.81,;60.37,-49.03,;59.03,-49.81,;57.69,-49.04,;57.7,-47.49,;59.02,-46.72,;60.36,-47.49,)|
Structure:
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