Reaction Details Report a problem with these data
Target
NADH-ubiquinone oxidoreductase chain 1
Ligand
BDBM50135527
Substrate
n/a
Meas. Tech.
ChEMBL_919596 (CHEMBL3083633)
IC50
4.4±n/a nM
Citation
 Cantín, A; López-Gresa, MP; González, MC; Moya, P; Miranda, MA; Primo, J; Romero, V; Peris, E; Estornell, E Novel inhibitors of the mitochondrial respiratory chain: oximes and pyrrolines isolated from Penicillium brevicompactum and synthetic analogues. J Agric Food Chem 53:8296-301 (2005) [PubMed]  Article 
Target
Name:
NADH-ubiquinone oxidoreductase chain 1
Synonyms:
MT-ND1 | MTND1 | NADH Oxidase | NADH-ubiquinone oxidoreductase | NADH-ubiquinone oxidoreductase chain 1 | NADH1 | ND1 | NU1M_BOVIN
Type:
Protein
Mol. Mass.:
35672.63
Organism:
Bos taurus (Bovine)
Description:
P03887
Residue:
318
Sequence:
MFMINILMLIIPILLAVAFLTLVERKVLGYMQLRKGPNVVGPYGLLQPIADAIKLFIKEPLRPATSSASMFILAPIMALGLALTMWIPLPMPYPLINMNLGVLFMLAMSSLAVYSILWSGWASNSKYALIGALRAVAQTISYEVTLAIILLSVLLMSGSFTLSTLITTQEQMWLILPAWPLAMMWFISTLAETNRAPFDLTEGESELVSGFNVEYAAGPFALFFMAEYANIIMMNIFTAILFLGTSHNPHMPELYTINFTIKSLLLTMSFLWIRASYPRFRYDQLMHLLWKNFLPLTLALCMWHVSLPILTSGIPPQT
  
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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