Reaction Details Report a problem with these data
Target
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
Ligand
BDBM40314
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7±n/a
IC50
<40±n/a nM
Comments
extracted
Citation
 Wong, C; Wu, Y Compounds and methods for treating tuberculosis infection US Patent  US9073941 Publication Date 7/7/2015 
Target
Name:
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
Synonyms:
ODP2_MYCTU | Pyruvate dehydrogenase (PDH) | dlaT | sucB
Type:
Enzyme
Mol. Mass.:
57069.35
Organism:
Mycobacterium tuberculosis
Description:
P9WIS7
Residue:
553
Sequence:
MAFSVQMPALGESVTEGTVTRWLKQEGDTVELDEPLVEVSTDKVDTEIPSPAAGVLTKIIAQEDDTVEVGGELAVIGDAKDAGEAAAPAPEKVPAAQPESKPAPEPPPVQPTSGAPAGGDAKPVLMPELGESVTEGTVIRWLKKIGDSVQVDEPLVEVSTDKVDTEIPSPVAGVLVSISADEDATVPVGGELARIGVAADIGAAPAPKPAPKPVPEPAPTPKAEPAPSPPAAQPAGAAEGAPYVTPLVRKLASENNIDLAGVTGTGVGGRIRKQDVLAAAEQKKRAKAPAPAAQAAAAPAPKAPPAPAPALAHLRGTTQKASRIRQITANKTRESLQATAQLTQTHEVDMTKIVGLRARAKAAFAEREGVNLTFLPFFAKAVIDALKIHPNINASYNEDTKEITYYDAEHLGFAVDTEQGLLSPVIHDAGDLSLAGLARAIADIAARARSGNLKPDELSGGTFTITNIGSQGALFDTPILVPPQAAMLGTGAIVKRPRVVVDASGNESIGVRSVCYLPLTYDHRLIDGADAGRFLTTIKHRLEEGAFEADLGL
  
Inhibitor
Name:
BDBM40314
Synonyms:
3-(4-Chloro-phenyl)-1,6-dimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione | 3-(4-chlorophenyl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione | 3-(4-chlorophenyl)-1,6-dimethyl-pyrimido[5,4-e][1,2,4]triazine-5,7-quinone | 3-(4-chlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione | MLS000523518 | SMR000122591 | US9073941, 603 | cid_460749
Type:
Small organic molecule
Emp. Form.:
C13H10ClN5O2
Mol. Mass.:
303.704
SMILES:
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
Structure:
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