Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50450646
Substrate
n/a
Meas. Tech.
ChEMBL_1742998 (CHEMBL4158748)
Ki
19±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:
BDBM50450646
Synonyms:
CHEMBL4170858
Type:
Small organic molecule
Emp. Form.:
C26H39FN2O
Mol. Mass.:
414.5991
SMILES:
FCC[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:3.2,14.18,(22.21,-27.33,;23.54,-28.11,;24.88,-27.35,;26.21,-28.13,;27.55,-27.37,;28.87,-28.14,;30.19,-27.36,;31.53,-28.13,;31.53,-29.68,;30.19,-30.45,;28.86,-29.68,;27.53,-30.43,;26.19,-31.2,;26.18,-32.73,;27.5,-33.51,;28.84,-32.75,;28.85,-31.2,;27.49,-35.05,;26.15,-35.8,;26.13,-37.33,;27.46,-38.12,;28.8,-37.36,;28.82,-35.82,;27.45,-39.66,;26.1,-40.41,;26.08,-41.94,;27.4,-42.73,;28.75,-41.98,;28.77,-40.44,;26.2,-29.66,)|
Structure:
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