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Target
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
Ligand
BDBM32062
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7±n/a
IC50
>5000±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:
BDBM32062
Synonyms:
MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)benzamide | N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide | N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)benzamide | SMR000060333 | US9045483, 3 | US9073941, 1003 | cid_1910302
Type:
Small organic molecule
Emp. Form.:
C22H19N5O
Mol. Mass.:
369.4192
SMILES:
CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Structure:
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