Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450657
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
58±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:
BDBM50450657
Synonyms:
CHEMBL4160820
Type:
Small organic molecule
Emp. Form.:
C26H33NO4
Mol. Mass.:
423.5445
SMILES:
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCc3cc(OC)c(OC)cc3C2)O1 |r,wU:13.17,wD:2.1,(25.72,-1.85,;25.71,-3.4,;27.04,-4.18,;28.38,-3.42,;29.7,-4.19,;31.02,-3.41,;32.36,-4.17,;32.36,-5.73,;31.02,-6.5,;29.69,-5.73,;28.35,-6.49,;27.01,-7.25,;27.01,-8.78,;28.33,-9.56,;29.67,-8.8,;29.68,-7.25,;28.32,-11.1,;29.65,-11.87,;29.63,-13.42,;28.29,-14.18,;28.27,-15.71,;26.93,-16.46,;26.91,-18,;25.57,-18.76,;25.6,-15.67,;24.26,-16.43,;22.93,-15.64,;25.62,-14.13,;26.97,-13.38,;26.98,-11.85,;27.03,-5.71,)|
Structure:
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