Reaction Details Report a problem with these data
Target
NADH-ubiquinone oxidoreductase chain 4
Ligand
BDBM50135527
Substrate
n/a
Meas. Tech.
ChEBML_141731
IC50
3.5±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:
BDBM50135527
Synonyms:
(-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one | 5'beta-rotenone | Barbasco | CHEMBL429023 | Canex | Noxfire | [2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one | rotenone
Type:
Small organic molecule
Emp. Form.:
C23H22O6
Mol. Mass.:
394.4172
SMILES:
COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C |r|
Structure:
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