Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50450665
Substrate
n/a
Meas. Tech.
ChEMBL_1742998 (CHEMBL4158748)
Ki
61±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 non-opioid intracellular receptor 1
Synonyms:
OPRS1 | SGMR1_CAVPO | SIGMAR1 | Sigma 1-type opioid receptor | Sigma non-opioid intracellular receptor 1 | Sigma-1 receptor | Sigma1-receptor | Sigma1R | Sterol isomerase-like protein
Type:
Protein
Mol. Mass.:
25307.17
Organism:
Cavia porcellus (Guinea pig)
Description:
Q60492
Residue:
223
Sequence:
MQWAVGRRWLWVALFLAAVAVLTQIVWLWLGTQNFVFQREEIAQLARQYAGLDHELAFSKLIVELRRLHPVHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSPRHSGRYWAEISDTIISGTFHQWREGTTKSEVFYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPSTLGFALADTVFSTQDFLTLFYTLRVYARALQLELTTYLFGQDP
  
Inhibitor
Name:
BDBM50450665
Synonyms:
CHEMBL4172125
Type:
Small organic molecule
Emp. Form.:
C26H40N2O2
Mol. Mass.:
412.608
SMILES:
OCC[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:14.18,wD:3.2,(19.52,-4.75,;20.84,-5.53,;22.18,-4.76,;23.51,-5.54,;24.85,-4.79,;26.17,-5.56,;27.49,-4.78,;28.83,-5.54,;28.83,-7.09,;27.49,-7.86,;26.16,-7.09,;24.83,-7.85,;23.49,-8.61,;23.48,-10.14,;24.81,-10.93,;26.14,-10.16,;26.16,-8.62,;24.79,-12.47,;23.45,-13.22,;23.44,-14.75,;24.76,-15.54,;26.1,-14.78,;26.12,-13.23,;24.75,-17.07,;23.4,-17.82,;23.38,-19.36,;24.71,-20.15,;26.05,-19.4,;26.07,-17.85,;23.51,-7.08,)|
Structure:
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