Reaction Details Report a problem with these data
Target
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Ligand
BDBM50135524
Substrate
n/a
Meas. Tech.
ChEMBL_141734 (CHEMBL749247)
IC50
22±n/a nM
Citation
 Tormo, JR; Gallardo, T; Peris, E; Bermejo, A; Cabedo, N; Estornell, E; Zafra-Polo, MC; Cortes, D Inhibitory effects on mitochondrial complex I of semisynthetic mono-tetrahydrofuran acetogenin derivatives. Bioorg Med Chem Lett 13:4101-5 (2003) [PubMed]  Article 
Target
Name:
Acyl carrier protein,/NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Synonyms:
Mitochondrial complex I; NADH oxidoreductase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 141738
Components:
This complex has 2 components.
Component 1
Name:
NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial
Synonyms:
CI-51kD | Complex I-51kD | NADH dehydrogenase flavoprotein 1 | NADH-ubiquinone oxidoreductase 51 kDa subunit | NDUFV1 | NDUV1_BOVIN | UQOR1
Type:
PROTEIN
Mol. Mass.:
50659.85
Organism:
Bos taurus
Description:
EBI_100771
Residue:
464
Sequence:
MLAARRLLGGSLPARVSVRFSGDTTAPKKTSFGSLKDEDRIFTNLYGRHDWRLKGAQSRGDWYKTKEILLKGPDWILGEVKTSGLRGRGGAGFPTGLKWSFMNKPSDGRPKYLVVNADEGEPGTCKDREIIRHDPHKLVEGCLVGGRAMGARAAYIYIRGEFYNEASNLQVAIREAYEAGLIGKNACGSGYDFDVFVVRGAGAYICGEETALIESIEGKQGKPRLKPPFPADVGVFGCPTTVANVETVAVSPTICRRGGAWFASFGRERNSGTKLFNISGHVNNPCTVEEEMSVPLKELIEKHAGGVTGGWDNLLAVIPGGSSTPLIPKSVCETVLMDFDALIQAQTGLGTAAVIVMDRSTDIVKAIARLIEFYKHESCGQCTPCREGVDWMNKVMARFVRGDARPAEIDSLWEISKQIEGHTICALGDGAAWPVQGLIRHFRPELEERMQQFAQQHQARQAAF
  
Component 2
Name:
Acyl carrier protein, mitochondrial
Synonyms:
ACP | ACPM_BOVIN | CI-SDAP | NADH-ubiquinone oxidoreductase 9.6 kDa subunit | NDUFAB1
Type:
PROTEIN
Mol. Mass.:
17397.64
Organism:
Bos taurus
Description:
ChEMBL_469770
Residue:
156
Sequence:
MAVRVLCACVRRLPTAFAPLPRLPTLAAARPLSTTLFAAETRTRPGAPLPALVLAQVPGRVTQLCRQYSDAPPLTLEGIKDRVLYVLKLYDKIDPEKLSVNSHFMKDLGLDSLDQVEIIMAMEDEFGFEIPDIDAEKLMCPQEIVDYIADKKDVYE
  
Inhibitor
Name:
BDBM50135524
Synonyms:
(S)-3,4-Dihydroxy-5-methyl-3-{(2R,8S,13S)-2,8,13-trihydroxy-13-[(2S,5S)-5-((S)-1-hydroxy-tridecyl)-tetrahydro-furan-2-yl]-tridecyl}-dihydro-furan-2-one | CHEMBL131506
Type:
Small organic molecule
Emp. Form.:
C35H66O9
Mol. Mass.:
630.8931
SMILES:
CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@@H](O)CCCC[C@@H](O)CCCCC[C@@H](O)CC1(O)C(O)[C@H](C)OC1=O
Structure:
Search PDB for entries with ligand similarity: