Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50450633
Substrate
n/a
Meas. Tech.
ChEMBL_1742998 (CHEMBL4158748)
Ki
12±n/a nM
Citation
 Bergkemper, M; Kronenberg, E; Thum, S; Börgel, F; Daniliuc, C; Schepmann, D; Nieto, FR; Brust, P; Reinoso, RF; Alvarez, I; Wünsch, B Synthesis, Receptor Affinity, and Antiallodynic Activity of Spirocyclic ? Receptor Ligands with Exocyclic Amino Moiety. J Med Chem 61:9666-9690 (2018) [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:
BDBM50450633
Synonyms:
CHEMBL4159233
Type:
Small organic molecule
Emp. Form.:
C28H42N2O3
Mol. Mass.:
454.6447
SMILES:
CCOC(=O)C[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:6.5,17.21,(36.64,-28.39,;37.97,-29.17,;39.31,-28.4,;40.63,-29.18,;40.62,-30.72,;41.97,-28.42,;43.3,-29.2,;44.64,-28.44,;45.96,-29.21,;47.28,-28.43,;48.62,-29.2,;48.62,-30.75,;47.28,-31.52,;45.95,-30.75,;44.62,-31.51,;43.28,-32.27,;43.27,-33.8,;44.6,-34.58,;45.93,-33.82,;45.95,-32.28,;44.58,-36.12,;43.24,-36.87,;43.22,-38.41,;44.55,-39.19,;45.89,-38.43,;45.91,-36.89,;44.54,-40.73,;43.19,-41.48,;43.17,-43.01,;44.49,-43.81,;45.84,-43.05,;45.86,-41.51,;43.29,-30.74,)|
Structure:
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