Reaction Details Report a problem with these data
Target
Sigma intracellular receptor 2
Ligand
BDBM50450660
Substrate
n/a
Meas. Tech.
ChEMBL_1742999 (CHEMBL4158749)
Ki
302±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:
BDBM50450660
Synonyms:
CHEMBL4170826
Type:
Small organic molecule
Emp. Form.:
C24H36N2O2
Mol. Mass.:
384.5548
SMILES:
O[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:12.16,wD:1.0,(55.77,-2.29,;57.1,-3.07,;58.44,-2.31,;59.76,-3.08,;61.08,-2.3,;62.42,-3.07,;62.42,-4.62,;61.08,-5.39,;59.75,-4.62,;58.41,-5.38,;57.08,-6.14,;57.07,-7.68,;58.39,-8.46,;59.73,-7.69,;59.75,-6.15,;58.38,-10,;57.04,-10.75,;57.02,-12.28,;58.35,-13.07,;59.69,-12.31,;59.71,-10.77,;58.34,-14.61,;56.99,-15.36,;56.97,-16.9,;58.29,-17.69,;59.64,-16.93,;59.66,-15.39,;57.09,-4.61,)|
Structure:
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