Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450672
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
305±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:
BDBM50450672
Synonyms:
CHEMBL4159559
Type:
Small organic molecule
Emp. Form.:
C27H34FNO
Mol. Mass.:
407.5634
SMILES:
FCC[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NC2CCc3ccccc3CC2)O1 |r,wU:14.18,wD:3.2,(25.4,-2.83,;26.73,-3.61,;28.07,-2.85,;29.4,-3.63,;30.74,-2.87,;32.05,-3.64,;33.38,-2.86,;34.71,-3.63,;34.72,-5.18,;33.38,-5.95,;32.05,-5.18,;30.71,-5.94,;29.38,-6.7,;29.37,-8.23,;30.69,-9.01,;32.03,-8.25,;32.04,-6.7,;30.68,-10.55,;29.34,-11.3,;29.42,-12.83,;28.27,-13.87,;26.76,-13.63,;25.98,-14.95,;24.44,-14.94,;23.68,-13.59,;24.47,-12.26,;26.01,-12.28,;26.58,-10.85,;28.06,-10.42,;29.39,-5.16,)|
Structure:
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