Reaction Details  Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50540113
Substrate
n/a
Meas. Tech.
ChEMBL_1980753 (CHEMBL4614015)
Ki
9.7±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:
BDBM50540113
Synonyms:
CHEMBL4635589
Type:
Small organic molecule
Emp. Form.:
C29H34F2N2O2S
Mol. Mass.:
512.654
SMILES:
COc1ccc(CC(O)CN2CCN(CCSC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Structure:
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