Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50450651
Substrate
n/a
Meas. Tech.
ChEMBL_1742998 (CHEMBL4158748)
Ki
6.3±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:
BDBM50450651
Synonyms:
CHEMBL4175947
Type:
Small organic molecule
Emp. Form.:
C25H38N2O2
Mol. Mass.:
398.5814
SMILES:
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:13.17,wD:2.1,(7.52,-1.04,;7.51,-2.58,;8.84,-3.36,;10.17,-2.6,;11.49,-3.37,;12.82,-2.59,;14.16,-3.36,;14.16,-4.91,;12.82,-5.68,;11.49,-4.91,;10.15,-5.67,;8.81,-6.43,;8.8,-7.96,;10.13,-8.74,;11.47,-7.98,;11.48,-6.44,;10.12,-10.29,;8.77,-11.04,;8.76,-12.57,;10.09,-13.36,;11.43,-12.6,;11.45,-11.05,;10.07,-14.89,;8.73,-15.65,;8.71,-17.18,;10.03,-17.98,;11.38,-17.22,;11.4,-15.68,;8.83,-4.9,)|
Structure:
Search PDB for entries with ligand similarity: