Reaction Details Report a problem with these data
Target
NADH-ubiquinone oxidoreductase chain 4
Ligand
BDBM50280474
Substrate
n/a
Meas. Tech.
ChEBML_141731
IC50
80±n/a nM
Citation
 Josephs, JL; Casida, JE Novel synthetic rotenoids with blocked B/C ring systems Bioorg Med Chem Lett 2:593-596 (1992)    Article 
Target
Name:
NADH-ubiquinone oxidoreductase chain 4
Synonyms:
MT-ND4 | MTND4 | Mitochondrial complex I (NADH dehydrogenase) | NADH-ubiquinone oxidoreductase chain 4 | NADH4 | ND4 | NU4M_HUMAN
Type:
PROTEIN
Mol. Mass.:
51594.97
Organism:
Homo sapiens (Human)
Description:
ChEMBL_141731
Residue:
459
Sequence:
MLKLIVPTIMLLPLTWLSKKHMIWINTTTHSLIISIIPLLFFNQINNNLFSCSPTFSSDPLTTPLLMLTTWLLPLTIMASQRHLSSEPLSRKKLYLSMLISLQISLIMTFTATELIMFYIFFETTLIPTLAIITRWGNQPERLNAGTYFLFYTLVGSLPLLIALIYTHNTLGSLNILLLTLTAQELSNSWANNLMWLAYTMAFMVKMPLYGLHLWLPKAHVEAPIAGSMVLAAVLLKLGGYGMMRLTLILNPLTKHMAYPFLVLSLWGMIMTSSICLRQTDLKSLIAYSSISHMALVVTAILIQTPWSFTGAVILMIAHGLTSSLLFCLANSNYERTHSRIMILSQGLQTLLPLMAFWWLLASLANLALPPTINLLGELSVLVTTFSWSNITLLLTGLNMLVTALYSLYMFTTTQWGSLTHHINNMKPSFTRENTLMFMHLSPILLLSLNPDIITGFSS
  
Inhibitor
Name:
BDBM50280474
Synonyms:
6-isopropenyl-16,17-dimethoxy-2,7,20-trioxahexacyclo[11.8.1.01,13.03,11.04,8.014,19]docosa-3(11),4(8),9,14(19),15,17-hexaen-12-one; 6-isopropenyl-16,17-dimethoxy-2,7,20-trioxahexacyclo[11.8.1.01,13.03,11.04,8.014,19]docosa-3(11),4(8),9,14(19),15,17-hexaen-12-one | CHEMBL357929
Type:
Small organic molecule
Emp. Form.:
C24H22O6
Mol. Mass.:
406.4279
SMILES:
COc1cc2OCC34CC3(C(=O)c3ccc5O[C@H](Cc5c3O4)C(C)=C)c2cc1OC
Structure:
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