Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450659
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
66±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:
BDBM50450659
Synonyms:
CHEMBL4172875
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:14.15,7.6,(44.04,-39.83,;44.05,-38.28,;45.4,-37.52,;45.4,-35.98,;44.07,-35.21,;44.09,-33.67,;45.43,-32.91,;45.44,-31.37,;44.11,-30.59,;44.12,-29.05,;45.46,-28.29,;46.79,-29.06,;46.78,-30.6,;44.13,-27.52,;44.14,-25.98,;42.81,-25.2,;45.48,-25.22,;46.8,-25.99,;48.12,-25.22,;49.46,-25.98,;49.47,-27.53,;48.13,-28.3,;46.79,-27.53,;42.73,-35.96,;41.41,-35.18,;42.72,-37.5,)|
Structure:
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