Reaction Details Report a problem with these data
Target
Quinone-dependent D-lactate dehydrogenase
Ligand
BDBM59100
Substrate
n/a
Meas. Tech.
Steady-State Inhibition Assay
pH
7.4±0
Ki
1.2e+4±n/a nM
Citation
 Sem, DS; Bertolaet, B; Baker, B; Chang, E; Costache, AD; Coutts, S; Dong, Q; Hansen, M; Hong, V; Huang, X; Jack, RM; Kho, R; Lang, H; Ma, CT; Meininger, D; Pellecchia, M; Pierre, F; Villar, H; Yu, L Systems-based design of bi-ligand inhibitors of oxidoreductases: filling the chemical proteomic toolbox. Chem Biol 11:185-94 (2004) [PubMed]  Article 
Target
Name:
Quinone-dependent D-lactate dehydrogenase
Synonyms:
D-lactate dehydrogenase | DLD_ECOLI | dld
Type:
Enzyme
Mol. Mass.:
64613.58
Organism:
Escherichia coli
Description:
P06149
Residue:
571
Sequence:
MSSMTTTDNKAFLNELARLVGSSHLLTDPAKTARYRKGFRSGQGDALAVVFPGSLLELWRVLKACVTADKIILMQAANTGLTEGSTPNGNDYDRDVVIISTLRLDKLHVLGKGEQVLAYPGTTLYSLEKALKPLGREPHSVIGSSCIGASVIGGICNNSGGSLVQRGPAYTEMSLFARINEDGKLTLVNHLGIDLGETPEQILSKLDDDRIKDDDVRHDGRHAHDYDYVHRVRDIEADTPARYNADPDRLFESSGCAGKLAVFAVRLDTFEAEKNQQVFYIGTNQPEVLTEIRRHILANFENLPVAGEYMHRDIYDIAEKYGKDTFLMIDKLGTDKMPFFFNLKGRTDAMLEKVKFFRPHFTDRAMQKFGHLFPSHLPPRMKNWRDKYEHHLLLKMAGDGVGEAKSWLVDYFKQAEGDFFVCTPEEGSKAFLHRFAAAGAAIRYQAVHSDEVEDILALDIALRRNDTEWYEHLPPEIDSQLVHKLYYGHFMCYVFHQDYIVKKGVDVHALKEQMLELLQQRGAQYPAEHNVGHLYKAPETLQKFYRENDPTNSMNPGIGKTSKRKNWQEVE
  
Inhibitor
Name:
BDBM59100
Synonyms:
Bi-ligand, 3
Type:
Small organic molecule
Emp. Form.:
C25H20N2O5S2
Mol. Mass.:
492.567
SMILES:
Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4ccc(O)c(O)c4)C3=O)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: