Reaction Details Report a problem with these data
Target
Sigma non-opioid intracellular receptor 1
Ligand
BDBM50543310
Substrate
n/a
Meas. Tech.
ChEMBL_1988878 (CHEMBL4622425)
Ki
191±n/a nM
Citation
 Greenfield, DA; Schmidt, HR; Skiba, MA; Mandler, MD; Anderson, JR; Sliz, P; Kruse, AC Virtual Screening for Ligand Discovery at the ? ACS Med Chem Lett 11:1555-1561 (2020) [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:
Human
Description:
Q99720
Residue:
223
Sequence:
MQWAVGRRWAWAALLLAVAAVLTQVVWLWLGTQSFVFQREEIAQLARQYAGLDHELAFSRLIVELRRLHPGHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSRGHSGRYWAEISDTIISGTFHQWREGTTKSEVFYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPSTLAFALADTVFSTQDFLTLFYTLRSYARGLRLELTTYLFGQDP
  
Inhibitor
Name:
BDBM50543310
Synonyms:
CHEMBL4640844
Type:
Small organic molecule
Emp. Form.:
C18H15F3N2O
Mol. Mass.:
332.3197
SMILES:
FC(F)(F)c1cccc(c1)-c1ccc(CNCc2cccnc2)o1
Structure:
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