Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450643
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
343±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:
BDBM50450643
Synonyms:
CHEMBL4167697
Type:
Small organic molecule
Emp. Form.:
C29H37NO5
Mol. Mass.:
479.6078
SMILES:
CCOC(=O)C[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCc3cc(OC)c(OC)cc3C2)O1 |r,wU:6.5,17.21,(56.24,-27.53,;57.57,-28.31,;58.9,-27.55,;60.23,-28.33,;60.22,-29.87,;61.57,-27.56,;62.9,-28.34,;64.24,-27.59,;65.56,-28.36,;66.89,-27.58,;68.22,-28.34,;68.23,-29.89,;66.89,-30.67,;65.55,-29.89,;64.22,-30.65,;62.88,-31.42,;62.87,-32.95,;64.2,-33.73,;65.54,-32.97,;65.55,-31.42,;64.19,-35.27,;65.51,-36.04,;65.5,-37.59,;64.15,-38.35,;64.13,-39.88,;62.8,-40.63,;62.78,-42.17,;64.11,-42.96,;61.47,-39.84,;60.12,-40.6,;58.8,-39.81,;61.49,-38.3,;62.83,-37.55,;62.84,-36.02,;62.9,-29.88,)|
Structure:
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