Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50521518
Substrate
n/a
Meas. Tech.
ChEMBL_1884526 (CHEMBL4386108)
Ki
8.0±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 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:
BDBM50521518
Synonyms:
CHEMBL4467945
Type:
Small organic molecule
Emp. Form.:
C22H33NO
Mol. Mass.:
327.5035
SMILES:
CN(CC1CCCCC1)[C@H]1CC[C@@]2(CC1)OCCc1ccccc21 |r,wU:12.16,wD:9.9,(37,-10.98,;38.34,-10.22,;39.67,-11,;41.01,-10.24,;42.33,-11.03,;43.67,-10.28,;43.68,-8.73,;42.36,-7.95,;41.01,-8.71,;38.35,-8.68,;39.69,-7.92,;39.7,-6.38,;38.37,-5.61,;37.04,-6.37,;37.03,-7.9,;39.73,-4.84,;39.73,-3.29,;38.39,-2.5,;37.05,-3.28,;35.71,-2.52,;34.38,-3.29,;34.38,-4.84,;35.71,-5.61,;37.04,-4.84,)|
Structure:
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