Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450631
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
302±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:
BDBM50450631
Synonyms:
CHEMBL4165358
Type:
Small organic molecule
Emp. Form.:
C25H32FNO
Mol. Mass.:
381.5261
SMILES:
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@H](CCF)Cc2ccccc32)c(C)c1 |r,wU:7.6,wD:14.15,(11.57,-19.09,;11.58,-17.55,;12.92,-16.79,;12.92,-15.26,;11.6,-14.49,;11.61,-12.96,;12.96,-12.21,;12.97,-10.66,;11.64,-9.88,;11.65,-8.35,;12.99,-7.58,;14.32,-8.35,;14.31,-9.9,;11.67,-6.81,;11.68,-5.27,;10.34,-4.49,;9,-5.25,;7.67,-4.47,;13.01,-4.51,;14.33,-5.28,;15.66,-4.5,;17,-5.27,;17,-6.82,;15.66,-7.6,;14.33,-6.82,;10.27,-15.24,;8.94,-14.46,;10.26,-16.78,)|
Structure:
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