Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450639
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
181±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:
BDBM50450639
Synonyms:
CHEMBL4169156
Type:
Small organic molecule
Emp. Form.:
C23H29NO2
Mol. Mass.:
351.4819
SMILES:
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@H](O)Cc2ccccc32)c(C)c1 |r,wU:7.6,wD:14.15,(44.4,-19.23,;44.41,-17.69,;45.75,-16.92,;45.76,-15.39,;44.43,-14.62,;44.44,-13.08,;45.78,-12.32,;45.79,-10.78,;44.47,-9.99,;44.47,-8.46,;45.81,-7.7,;47.14,-8.47,;47.13,-10.01,;44.49,-6.93,;44.5,-5.39,;43.17,-4.61,;45.83,-4.63,;47.15,-5.4,;48.48,-4.62,;49.82,-5.39,;49.82,-6.94,;48.48,-7.71,;47.15,-6.94,;43.09,-15.37,;41.76,-14.59,;43.08,-16.91,)|
Structure:
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