Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50521522
Substrate
n/a
Meas. Tech.
ChEMBL_1884526 (CHEMBL4386108)
Ki
5.8±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:
BDBM50521522
Synonyms:
CHEMBL4582223
Type:
Small organic molecule
Emp. Form.:
C22H33NO2
Mol. Mass.:
343.5029
SMILES:
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:10.26,13.17,(34.21,-31.18,;32.88,-31.94,;32.88,-33.48,;34.2,-34.25,;34.2,-35.8,;35.52,-36.56,;35.52,-38.09,;34.19,-38.85,;32.9,-38.09,;32.88,-36.56,;31.55,-35.8,;30.21,-35.03,;28.87,-35.8,;28.87,-37.34,;30.21,-38.12,;31.56,-37.34,;27.53,-38.12,;26.2,-37.34,;24.86,-38.12,;23.53,-37.34,;22.2,-38.11,;22.19,-39.65,;23.53,-40.42,;24.86,-39.66,;31.55,-34.25,)|
Structure:
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