Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50521529
Substrate
n/a
Meas. Tech.
ChEMBL_1884530 (CHEMBL4386112)
Ki
7.3±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:
Aging-associated gene 8 protein | OPRS1 | SGMR1_HUMAN | SIG-1R | SIGMAR1 | SR-BP | SR31747-binding protein | SRBP | Sigma 1-type opioid receptor | Sigma opioid receptor | Sigma1R | hSigmaR1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
25124.85
Organism:
Homo sapiens (Human)
Description:
Q99720
Residue:
223
Sequence:
MQWAVGRRWAWAALLLAVAAVLTQVVWLWLGTQSFVFQREEIAQLARQYAGLDHELAFSRLIVELRRLHPGHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSRGHSGRYWAEISDTIISGTFHQWREGTTKSEVFYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPSTLAFALADTVFSTQDFLTLFYTLRSYARGLRLELTTYLFGQDP
  
Inhibitor
Name:
BDBM50521529
Synonyms:
CHEMBL4562252
Type:
Small organic molecule
Emp. Form.:
C23H35NO2
Mol. Mass.:
357.5295
SMILES:
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:10.27,13.17,(74.64,-30.02,;73.31,-30.78,;73.31,-32.32,;74.63,-33.09,;74.63,-34.63,;75.95,-35.4,;75.95,-36.93,;74.62,-37.69,;73.33,-36.93,;73.31,-35.4,;71.98,-34.63,;70.63,-33.87,;69.3,-34.63,;69.3,-36.18,;70.64,-36.95,;71.99,-36.18,;67.96,-36.95,;67.96,-38.49,;66.63,-36.18,;65.29,-36.95,;63.96,-36.18,;62.62,-36.95,;62.62,-38.49,;63.95,-39.26,;65.29,-38.5,;71.98,-33.09,)|
Structure:
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