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TargetPyruvate dehydrogenase (PDH)
LigandBDBM32062
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50>5000±n/a nM
Citation Wong, CWu, Y Compounds and methods for treating tuberculosis infection US Patent US9073941 Publication Date 7/7/2015
More Info.:Get all data from this article,  Assay Method
 
Pyruvate dehydrogenase (PDH)
Name:Pyruvate dehydrogenase (PDH)
Synonyms:n/a
Type:Enzyme
Mol. Mass.:57069.35
Organism:Mycobacterium tuberculosis
Description:P9WIS7
Residue:553
Sequence:
MAFSVQMPALGESVTEGTVTRWLKQEGDTVELDEPLVEVSTDKVDTEIPSPAAGVLTKII
AQEDDTVEVGGELAVIGDAKDAGEAAAPAPEKVPAAQPESKPAPEPPPVQPTSGAPAGGD
AKPVLMPELGESVTEGTVIRWLKKIGDSVQVDEPLVEVSTDKVDTEIPSPVAGVLVSISA
DEDATVPVGGELARIGVAADIGAAPAPKPAPKPVPEPAPTPKAEPAPSPPAAQPAGAAEG
APYVTPLVRKLASENNIDLAGVTGTGVGGRIRKQDVLAAAEQKKRAKAPAPAAQAAAAPA
PKAPPAPAPALAHLRGTTQKASRIRQITANKTRESLQATAQLTQTHEVDMTKIVGLRARA
KAAFAEREGVNLTFLPFFAKAVIDALKIHPNINASYNEDTKEITYYDAEHLGFAVDTEQG
LLSPVIHDAGDLSLAGLARAIADIAARARSGNLKPDELSGGTFTITNIGSQGALFDTPIL
VPPQAAMLGTGAIVKRPRVVVDASGNESIGVRSVCYLPLTYDHRLIDGADAGRFLTTIKH
RLEEGAFEADLGL
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  Blast E-value cutoff:
BDBM32062
NameBDBM32062
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
TypeSmall organic molecule
Emp. Form.C22H19N5O
Mol. Mass.369.4192
SMILESCCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Structure
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n/a
NameBDBM32062
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
TypeSmall organic molecule
Emp. Form.C22H19N5O
Mol. Mass.369.4192
SMILESCCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: