Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450634
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
179±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:
BDBM50450634
Synonyms:
CHEMBL4164248
Type:
Small organic molecule
Emp. Form.:
C25H33NO2
Mol. Mass.:
379.535
SMILES:
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@@H](CCO)Cc2ccccc32)c(C)c1 |r,wU:14.15,7.6,(8.81,-41.13,;8.82,-39.59,;10.15,-38.83,;10.16,-37.3,;8.84,-36.53,;8.85,-35,;10.19,-34.25,;10.2,-32.7,;8.88,-31.92,;8.88,-30.39,;10.22,-29.62,;11.56,-30.39,;11.54,-31.94,;8.9,-28.85,;8.91,-27.31,;7.58,-26.53,;6.24,-27.29,;4.9,-26.51,;10.25,-26.55,;11.57,-27.32,;12.89,-26.54,;14.23,-27.31,;14.24,-28.86,;12.9,-29.64,;11.56,-28.86,;7.5,-37.28,;6.17,-36.5,;7.49,-38.81,)|
Structure:
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