Reaction Details Report a problem with these data
Target
NADH-ubiquinone oxidoreductase chain 4
Ligand
BDBM50280475
Substrate
n/a
Meas. Tech.
ChEBML_141731
IC50
17±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:
BDBM50280475
Synonyms:
(2R,6aS,12aS)-2-Isopropenyl-8,9-dimethoxy-6a-methyl-1,2,12,12a-tetrahydro-6aH-chromeno[3,4-b]furo[2,3-h]chromen-6-one | CHEMBL347114
Type:
Small organic molecule
Emp. Form.:
C24H24O6
Mol. Mass.:
408.4438
SMILES:
COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@@]3(C)c2cc1OC)C(C)=C
Structure:
Search PDB for entries with ligand similarity: