Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450632
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
231±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:
BDBM50450632
Synonyms:
CHEMBL4171757
Type:
Small organic molecule
Emp. Form.:
C27H35NO3
Mol. Mass.:
421.5717
SMILES:
CCOC(=O)C[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccc(C)cc2C)O1 |r,wU:17.21,wD:6.5,(21.82,-5.58,;23.14,-6.36,;24.48,-5.59,;25.81,-6.37,;25.8,-7.91,;27.15,-5.61,;28.48,-6.39,;29.82,-5.63,;31.13,-6.4,;32.46,-5.62,;33.79,-6.39,;33.8,-7.94,;32.46,-8.71,;31.13,-7.94,;29.79,-8.7,;28.46,-9.46,;28.45,-10.99,;29.77,-11.77,;31.11,-11.01,;31.12,-9.47,;29.76,-13.31,;28.42,-14.07,;28.41,-15.61,;29.74,-16.38,;29.74,-17.91,;28.39,-18.68,;28.38,-20.22,;27.06,-17.9,;27.07,-16.36,;25.75,-15.58,;28.47,-7.93,)|
Structure:
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