Reaction Details  Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50540119
Substrate
n/a
Meas. Tech.
ChEMBL_1980753 (CHEMBL4614015)
Ki
147±n/a nM
Citation
 Slack, RD; Ku, TC; Cao, J; Giancola, JB; Bonifazi, A; Loland, CJ; Gadiano, A; Lam, J; Rais, R; Slusher, BS; Coggiano, M; Tanda, G; Newman, AH Structure-Activity Relationships for a Series of (Bis(4-fluorophenyl)methyl)sulfinyl Alkyl Alicyclic Amines at the Dopamine Transporter: Functionalizing the Terminal Nitrogen Affects Affinity, Selectivity, and Metabolic Stability. J Med Chem 63:2343-2357 (2020) [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:
BDBM50540119
Synonyms:
CHEMBL4645184
Type:
Small organic molecule
Emp. Form.:
C29H31F5N2O2S
Mol. Mass.:
566.626
SMILES:
OC(CN1CCN(CC[S+]([O-])C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: