Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450638
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
77±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:
BDBM50450638
Synonyms:
CHEMBL4167468
Type:
Small organic molecule
Emp. Form.:
C26H33NO2
Mol. Mass.:
391.5457
SMILES:
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NC2CCc3ccccc3CC2)O1 |r,wU:2.1,13.17,(11.9,-25.92,;13.24,-25.16,;14.56,-25.94,;15.9,-25.18,;17.22,-25.95,;18.54,-25.17,;19.88,-25.94,;19.88,-27.49,;18.55,-28.26,;17.21,-27.49,;15.88,-28.25,;14.54,-29.01,;14.53,-30.54,;15.86,-31.32,;17.2,-30.56,;17.21,-29.02,;15.85,-32.86,;14.5,-33.61,;14.59,-35.15,;13.45,-36.18,;11.93,-35.95,;11.15,-37.27,;9.61,-37.26,;8.85,-35.91,;9.64,-34.58,;11.18,-34.6,;11.76,-33.17,;13.24,-32.73,;14.56,-27.48,)|
Structure:
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