Reaction Details Report a problem with these data
Target
Dihydrolipoyl dehydrogenase
Ligand
BDBM92887
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
6.5e+2±n/a nM
Citation
 Bryk, R; Arango, N; Venugopal, A; Warren, JD; Park, YH; Patel, MS; Lima, CD; Nathan, C Triazaspirodimethoxybenzoyls as selective inhibitors of mycobacterial lipoamide dehydrogenase . Biochemistry 49:1616-27 (2010) [PubMed]  Article 
Target
Name:
Dihydrolipoyl dehydrogenase
Synonyms:
Component of peroxynitrite reductase/peroxidase complex | DLDH_MYCTO | Dihydrolipoyl dehydrogenase (Lpd) | Dihydrolipoyl dehydrogenase (Lpd) A181V | Dihydrolipoyl dehydrogenase (Lpd) A290R | Dihydrolipoyl dehydrogenase (Lpd) F269R | Dihydrolipoyl dehydrogenase (Lpd) G312A, L313G, L314P, Q315M | Dihydrolipoyl dehydrogenase (Lpd) L314P | Dihydrolipoyl dehydrogenase (Lpd) N209V | Dihydrolipoyl dehydrogenase (Lpd) R147T | Dihydrolipoyl dehydrogenase (Lpd) R347S | Lipoamide dehydrogenase (Lpd) | lpd | lpdC
Type:
Enzyme
Mol. Mass.:
49231.98
Organism:
Mycobacterium tuberculosis
Description:
P9WHH8
Residue:
464
Sequence:
MTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVAGVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVNGLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVGDPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFHGLVGHMINF
  
Inhibitor
Name:
BDBM92887
Synonyms:
Triazaspirobenzyl, 5
Type:
Small molecule
Emp. Form.:
C32H34Cl2N4O5
Mol. Mass.:
625.542
SMILES:
COc1ccc(C(=O)N2CCC3(CC2)N(CN(CC(=O)NCCc2ccc(Cl)cc2Cl)C3=O)c2ccccc2)c(OC)c1
Structure:
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