Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50521519
Substrate
n/a
Meas. Tech.
ChEMBL_1884527 (CHEMBL4386109)
Ki
33±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:
BDBM50521519
Synonyms:
CHEMBL4454365
Type:
Small organic molecule
Emp. Form.:
C22H31NO
Mol. Mass.:
325.4876
SMILES:
CN(CC1CCCCC1)[C@H]1CC[C@]2(CC1)OC=Cc1ccccc21 |r,wU:12.16,9.9,c:18,(66.87,-9.22,;66.87,-7.68,;65.54,-6.91,;64.2,-7.68,;62.87,-6.91,;61.54,-7.68,;61.53,-9.22,;62.87,-9.99,;64.2,-9.23,;68.21,-6.91,;68.21,-5.36,;69.54,-4.6,;70.89,-5.37,;70.9,-6.91,;69.55,-7.69,;70.89,-3.82,;72.22,-3.05,;73.54,-3.82,;73.54,-5.37,;74.86,-6.13,;74.86,-7.66,;73.53,-8.42,;72.24,-7.66,;72.22,-6.13,)|
Structure:
Search PDB for entries with ligand similarity: