Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450649
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
7.6±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:
BDBM50450649
Synonyms:
CHEMBL4167670
Type:
Small organic molecule
Emp. Form.:
C24H31NO2
Mol. Mass.:
365.5084
SMILES:
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccc(C)cc2C)O1 |r,wU:13.17,wD:2.1,(65.03,-3.22,;65.02,-4.76,;66.35,-5.54,;67.69,-4.78,;69.01,-5.55,;70.33,-4.77,;71.67,-5.54,;71.68,-7.09,;70.34,-7.86,;69,-7.09,;67.67,-7.85,;66.33,-8.61,;66.32,-10.14,;67.65,-10.92,;68.99,-10.16,;69,-8.62,;67.64,-12.47,;66.3,-13.23,;66.29,-14.77,;67.61,-15.53,;67.61,-17.07,;66.26,-17.84,;66.26,-19.38,;64.93,-17.06,;64.95,-15.52,;63.62,-14.74,;66.35,-7.08,)|
Structure:
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