Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50396850
Substrate
n/a
Meas. Tech.
ChEMBL_862690 (CHEMBL2174238)
Ki
0.25±n/a nM
Citation
 Meyer, C; Schepmann, D; Yanagisawa, S; Yamaguchi, J; Dal Col, V; Laurini, E; Itami, K; Pricl, S; Wünsch, B Pd-catalyzed direct C-H bond functionalization of spirocyclics1 ligands: generation of a pharmacophore model and analysis of the reverse binding mode by docking into a 3D homology model of thes1 receptor. J Med Chem 55:8047-65 (2012) [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:
BDBM50396850
Synonyms:
CHEMBL2170496
Type:
Small organic molecule
Emp. Form.:
C26H26N2O2S
Mol. Mass.:
430.562
SMILES:
COC1Cc2c(csc2-c2ccc(cc2)C#N)C2(CCN(Cc3ccccc3)CC2)O1
Structure:
Search PDB for entries with ligand similarity: