Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450658
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
105±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 intracellular receptor 2
Synonyms:
S2r | SGMR2_RAT | Sigma intracellular receptor 2 | Sigma-2 receptor | Sigma2 receptor | Tmem97 | Transmembrane protein 97
Type:
Protein
Mol. Mass.:
20953.88
Organism:
Rattus norvegicus (Rat)
Description:
Q5U3Y7
Residue:
176
Sequence:
MGAVTARRCVEWLLGLYFVSHIPITMFIDLQALLPPELYPQEFSNLLRWYSKEFKDPLMQEPPVWFKSFLFCELVFQLPFFPIAAYAFFKGSCRWIRIPAIIYAVHTITTLIPILYTILFEDFSKAIAFKGQRPENFRERLTLVGVYAPYLIIPLILLLFMLRNPYYKFEEKRKKK
  
Inhibitor
Name:
BDBM50450658
Synonyms:
CHEMBL4161237
Type:
Small organic molecule
Emp. Form.:
C26H33NO4
Mol. Mass.:
423.5445
SMILES:
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCc3cc(OC)c(OC)cc3C2)O1 |r,wU:2.1,13.17,(27.01,-23.78,;27,-25.32,;28.33,-26.1,;29.67,-25.34,;30.99,-26.11,;32.32,-25.34,;33.65,-26.1,;33.66,-27.65,;32.32,-28.42,;30.98,-27.65,;29.65,-28.41,;28.31,-29.17,;28.3,-30.71,;29.63,-31.49,;30.97,-30.73,;30.98,-29.18,;29.62,-33.03,;30.94,-33.8,;30.93,-35.34,;29.58,-36.1,;29.56,-37.64,;28.23,-38.39,;28.21,-39.93,;26.87,-40.69,;26.9,-37.6,;25.55,-38.35,;24.23,-37.56,;26.92,-36.06,;28.26,-35.31,;28.27,-33.78,;28.33,-27.64,)|
Structure:
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