Reaction Details Report a problem with these data
Target
Dihydrolipoyl dehydrogenase
Ligand
BDBM34697
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7±n/a
IC50
870±100 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:
Dihydrolipoyl dehydrogenase
Synonyms:
DLDH_MYCTU | Lipoamide Dehydrogenase (Lpd) | lpd | lpdC
Type:
Enzyme
Mol. Mass.:
49231.98
Organism:
Mycobacterium tuberculosis
Description:
P9WHH9
Residue:
464
Sequence:
MTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF
  
Inhibitor
Name:
BDBM34697
Synonyms:
MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)benzamide | N-(1-butan-2-yl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide | N-(1-butan-2-yl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)benzamide | N-(3-cyano-1-sec-butyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide | SMR000154973 | US9073941, 1004 | cid_4101144
Type:
Small organic molecule
Emp. Form.:
C22H19N5O
Mol. Mass.:
369.4192
SMILES:
CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
Structure:
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