Reaction Details Report a problem with these data
Target
NADH-ubiquinone oxidoreductase chain 1
Ligand
BDBM92959
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
4700±220 nM
Citation
 Ichimaru, N; Murai, M; Kakutani, N; Kako, J; Ishihara, A; Nakagawa, Y; Nishioka, T; Yagi, T; Miyoshi, H Synthesis and characterization of new piperazine-type inhibitors for mitochondrial NADH-ubiquinone oxidoreductase (complex I). Biochemistry 47:10816-26 (2008) [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:
BDBM92959
Synonyms:
Piperazine derivative, 23
Type:
Small molecule
Emp. Form.:
C32H52N2O2
Mol. Mass.:
496.7664
SMILES:
C[N+]1(C[C@H](O)CCCCCc2ccccc2)CC[N+](C)(C[C@H](O)CCCCCc2ccccc2)CC1 |r,wU:21.22,wD:3.3,(-4.72,3.56,;-3.63,2.48,;-3.63,4.02,;-2.3,4.79,;-2.3,6.33,;-.96,4.02,;.37,4.79,;1.7,4.02,;3.04,4.79,;4.37,4.02,;5.71,4.79,;5.71,6.33,;7.04,7.1,;8.37,6.33,;8.37,4.79,;7.04,4.02,;-4.96,1.71,;-4.96,.17,;-3.63,-.6,;-4.72,-1.69,;-3.63,-2.14,;-2.3,-2.91,;-2.3,-4.45,;-.96,-2.14,;.37,-2.91,;1.7,-2.14,;3.04,-2.91,;4.37,-2.14,;5.71,-2.91,;5.71,-4.45,;7.04,-5.23,;8.37,-4.45,;8.37,-2.91,;7.04,-2.14,;-2.3,.17,;-2.3,1.71,)|
Structure:
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