Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50521513
Substrate
n/a
Meas. Tech.
ChEMBL_1884527 (CHEMBL4386109)
Ki
361±n/a nM
Citation
 Kronenberg, E; Weber, F; Brune, S; Schepmann, D; Almansa, C; Friedland, K; Laurini, E; Pricl, S; Wünsch, B Synthesis and Structure-Affinity Relationships of Spirocyclic Benzopyrans with Exocyclic Amino Moiety. J Med Chem 62:4204-4217 (2019) [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:
BDBM50521513
Synonyms:
CHEMBL4443319
Type:
Small organic molecule
Emp. Form.:
C24H37NO2
Mol. Mass.:
371.5561
SMILES:
CCOC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:11.28,wD:14.18,(55.51,-14.64,;55.5,-16.18,;54.17,-16.94,;54.17,-18.48,;55.5,-19.25,;55.5,-20.8,;56.82,-21.57,;56.82,-23.09,;55.48,-23.86,;54.19,-23.09,;54.17,-21.56,;52.84,-20.8,;52.85,-22.34,;51.5,-23.12,;50.16,-22.34,;50.16,-20.8,;51.49,-20.03,;48.82,-23.12,;48.82,-24.66,;47.48,-22.34,;46.15,-23.12,;44.82,-22.34,;43.48,-23.11,;43.47,-24.66,;44.81,-25.43,;46.15,-24.66,;52.84,-19.25,)|
Structure:
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