Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450645
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
27±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:
BDBM50450645
Synonyms:
CHEMBL4169479
Type:
Small organic molecule
Emp. Form.:
C24H36N2O2
Mol. Mass.:
384.5548
SMILES:
O[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:1.0,12.16,(56.67,-24.62,;58,-25.4,;59.33,-24.64,;60.65,-25.41,;61.98,-24.63,;63.31,-25.39,;63.32,-26.95,;61.98,-27.72,;60.65,-26.95,;59.31,-27.71,;57.97,-28.47,;57.96,-30,;59.29,-30.78,;60.63,-30.02,;60.64,-28.48,;59.28,-32.32,;57.93,-33.07,;57.92,-34.61,;59.25,-35.4,;60.59,-34.64,;60.61,-33.09,;59.23,-36.93,;57.89,-37.69,;57.87,-39.22,;59.19,-40.01,;60.54,-39.26,;60.56,-37.71,;57.99,-26.93,)|
Structure:
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