Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50450662
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:
BDBM50450662
Synonyms:
CHEMBL4168393
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:17.21,wD:6.5,(36.26,-6.61,;37.59,-7.39,;38.93,-6.63,;40.26,-7.41,;40.25,-8.95,;41.6,-6.65,;42.93,-7.42,;44.26,-6.67,;45.58,-7.44,;46.9,-6.66,;48.24,-7.42,;48.24,-8.97,;46.91,-9.74,;45.57,-8.97,;44.24,-9.73,;42.9,-10.49,;42.89,-12.03,;44.22,-12.81,;45.56,-12.04,;45.57,-10.5,;44.21,-14.35,;42.86,-15.1,;42.85,-16.63,;44.17,-17.42,;45.52,-16.66,;45.53,-15.11,;44.16,-18.95,;42.82,-19.7,;42.8,-21.24,;44.12,-22.03,;45.46,-21.28,;45.49,-19.73,;42.92,-8.96,)|
Structure:
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