Reaction Details Report a problem with these data
Target
Dihydrolipoyl dehydrogenase
Ligand
BDBM76505
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7±n/a
IC50
1310±160 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:
BDBM76505
Synonyms:
2-(benzenesulfonamido)-1-(3-methoxypropyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester | 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester | MLS000707548 | SMR000241658 | US9073941, 1011 | cid_2334194 | ethyl 1-(3-methoxypropyl)-2-(phenylsulfonylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate | ethyl 2-(benzenesulfonamido)-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Type:
Small organic molecule
Emp. Form.:
C23H24N4O5S
Mol. Mass.:
468.525
SMILES:
CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12
Structure:
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