Target
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
Ligand
BDBM30768
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7±n/a
IC50
>5000±n/a nM
Comments
extracted
Citation
 Wong, CWu, 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:
BDBM30768
Synonyms:
2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide | 2-amino-1-(3-methoxypropyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2-amino-N-isoamyl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2-azanyl-1-(3-methoxypropyl)-N-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide | MLS000041744 | SMR000043890 | US9073941, 1012 | cid_663108
Type:
Small organic molecule
Emp. Form.:
C20H27N5O2
Mol. Mass.:
369.4607
SMILES:
COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
Structure:
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