Reaction Details Report a problem with these data
Target
Dihydrolipoyl dehydrogenase
Ligand
BDBM188264
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7±n/a
IC50
2850±780 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:
BDBM188264
Synonyms:
US9073941, 546
Type:
Small organic molecule
Emp. Form.:
C20H27ClN4O5S
Mol. Mass.:
470.97
SMILES:
COc1cc(OC)c(NC(=O)C2CCN(CC2)S(=O)(=O)c2cn(cn2)C(C)C)cc1Cl
Structure:
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