Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50450673
Substrate
n/a
Meas. Tech.
ChEMBL_1742998 (CHEMBL4158748)
Ki
198±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:
BDBM50450673
Synonyms:
CHEMBL4165978
Type:
Small organic molecule
Emp. Form.:
C27H34FNO
Mol. Mass.:
407.5634
SMILES:
FCC[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NC2CCc3ccccc3CC2)O1 |r,wU:3.2,14.18,(27.17,-25.45,;28.5,-26.22,;29.83,-25.46,;31.16,-26.24,;32.5,-25.48,;33.82,-26.25,;35.14,-25.48,;36.48,-26.24,;36.48,-27.79,;35.15,-28.56,;33.81,-27.79,;32.48,-28.55,;31.14,-29.31,;31.13,-30.84,;32.46,-31.62,;33.79,-30.86,;33.81,-29.32,;32.45,-33.16,;31.1,-33.91,;31.19,-35.45,;30.05,-36.49,;28.53,-36.25,;27.75,-37.57,;26.21,-37.56,;25.45,-36.21,;26.24,-34.88,;27.78,-34.9,;28.36,-33.47,;29.84,-33.03,;31.16,-27.78,)|
Structure:
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