Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450642
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
159±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:
BDBM50450642
Synonyms:
CHEMBL4176252
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:6.5,17.21,(21.36,-26.74,;22.69,-27.52,;24.02,-26.76,;25.35,-27.54,;25.34,-29.08,;26.69,-26.78,;28.02,-27.56,;29.36,-26.8,;30.68,-27.57,;32,-26.79,;33.33,-27.55,;33.34,-29.11,;32,-29.88,;30.67,-29.11,;29.33,-29.86,;28,-30.63,;27.99,-32.16,;29.31,-32.94,;30.65,-32.18,;30.66,-30.63,;29.3,-34.48,;27.96,-35.24,;27.95,-36.78,;29.28,-37.55,;29.28,-39.08,;27.93,-39.85,;27.92,-41.39,;26.6,-39.07,;26.61,-37.53,;25.29,-36.75,;28.01,-29.09,)|
Structure:
Search PDB for entries with ligand similarity: