Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450671
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
49±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:
BDBM50450671
Synonyms:
CHEMBL4174683
Type:
Small organic molecule
Emp. Form.:
C26H33NO2
Mol. Mass.:
391.5457
SMILES:
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NC2CCc3ccccc3CC2)O1 |r,wU:13.17,wD:2.1,(9.67,-3.49,;11.01,-2.73,;12.34,-3.5,;13.67,-2.75,;14.99,-3.52,;16.31,-2.74,;17.65,-3.5,;17.66,-5.05,;16.32,-5.83,;14.98,-5.05,;13.65,-5.81,;12.31,-6.58,;12.3,-8.11,;13.63,-8.89,;14.97,-8.13,;14.98,-6.58,;13.62,-10.43,;12.27,-11.18,;12.35,-12.71,;11.21,-13.75,;9.7,-13.51,;8.91,-14.83,;7.38,-14.82,;6.61,-13.47,;7.4,-12.14,;8.94,-12.16,;9.52,-10.73,;11,-10.29,;12.33,-5.04,)|
Structure:
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