Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50450648
Substrate
n/a
Meas. Tech.
ChEMBL_1742998 (CHEMBL4158748)
Ki
158±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:
BDBM50450648
Synonyms:
CHEMBL4159761
Type:
Small organic molecule
Emp. Form.:
C22H27NO2
Mol. Mass.:
337.4553
SMILES:
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccccc2)O1 |r,wU:2.1,13.17,(39.25,-35.27,;39.24,-36.81,;40.57,-37.59,;41.91,-36.83,;43.23,-37.6,;44.55,-36.82,;45.89,-37.59,;45.89,-39.14,;44.56,-39.91,;43.22,-39.14,;41.89,-39.9,;40.55,-40.66,;40.54,-42.2,;41.87,-42.98,;43.2,-42.21,;43.22,-40.67,;41.85,-44.52,;40.51,-45.28,;40.5,-46.82,;39.16,-47.57,;39.15,-49.11,;40.48,-49.9,;41.83,-49.13,;41.83,-47.59,;40.56,-39.13,)|
Structure:
Search PDB for entries with ligand similarity: