Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50450652
Substrate
n/a
Meas. Tech.
ChEMBL_1742998 (CHEMBL4158748)
Ki
4.4±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:
BDBM50450652
Synonyms:
CHEMBL4171436
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:2.1,13.17,(8.95,-24.18,;8.94,-25.72,;10.27,-26.5,;11.61,-25.74,;12.93,-26.52,;14.25,-25.74,;15.59,-26.5,;15.59,-28.05,;14.25,-28.82,;12.92,-28.05,;11.58,-28.81,;10.24,-29.57,;10.24,-31.11,;11.56,-31.89,;12.9,-31.13,;12.91,-29.58,;11.55,-33.43,;10.21,-34.18,;10.19,-35.71,;11.52,-36.5,;12.86,-35.74,;12.88,-34.2,;11.51,-38.04,;10.16,-38.79,;10.14,-40.33,;11.46,-41.12,;12.81,-40.36,;12.83,-38.82,;10.26,-28.04,)|
Structure:
Search PDB for entries with ligand similarity: