Reaction Details Report a problem with these data
Target
Quinone-dependent D-lactate dehydrogenase
Ligand
BDBM59101
Substrate
n/a
Meas. Tech.
Steady-State Inhibition Assay
pH
7.4±0
Ki
620±0.0 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:
BDBM59101
Synonyms:
Bi-ligand, 4
Type:
Small organic molecule
Emp. Form.:
C21H15N3O8S3
Mol. Mass.:
533.555
SMILES:
Oc1ccc(\C=C2/SC(=S)N(CC(=O)NCCSc3cc(nc(c3)C([O-])=O)C([O-])=O)C2=O)cc1O
Structure:
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