Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50521530
Substrate
n/a
Meas. Tech.
ChEMBL_1884526 (CHEMBL4386108)
Ki
19±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:
BDBM50521530
Synonyms:
CHEMBL4483557
Type:
Small organic molecule
Emp. Form.:
C21H31NO2
Mol. Mass.:
329.4763
SMILES:
COC1O[C@]2(CC[C@@H](CC2)NCC2CCCCC2)c2ccccc12 |r,wU:4.3,wD:7.10,(10.85,-45.5,;9.34,-45.82,;8.88,-47.29,;9.79,-48.53,;8.89,-49.78,;10.38,-50.18,;10.77,-51.67,;9.67,-52.76,;8.19,-52.35,;7.79,-50.87,;10.06,-54.25,;11.55,-54.65,;12.64,-53.57,;14.12,-53.99,;15.22,-52.91,;14.83,-51.42,;13.35,-51.01,;12.25,-52.09,;7.42,-49.32,;6.08,-50.1,;4.75,-49.33,;4.75,-47.78,;6.08,-47.01,;7.41,-47.78,)|
Structure:
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