Reaction Details Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADH]
Ligand
BDBM50099588
Substrate
n/a
Meas. Tech.
ChEMBL_1431510 (CHEMBL3389875)
IC50
5120±n/a nM
Citation
 Pedgaonkar, GS; Sridevi, JP; Jeankumar, VU; Saxena, S; Devi, PB; Renuka, J; Yogeeswari, P; Sriram, D Development of benzo[d]oxazol-2(3H)-ones derivatives as novel inhibitors of Mycobacterium tuberculosis InhA. Bioorg Med Chem 22:6134-45 (2014) [PubMed]  Article 
Target
Name:
Enoyl-[acyl-carrier-protein] reductase [NADH]
Synonyms:
Enoyl-ACP Reductase (InhA) | Enoyl-[acyl-carrier-protein] reductase | Enoyl-[acyl-carrier-protein] reductase [NADH] | INHA_MYCTU | NADH-dependent enoyl-ACP reductase | inhA
Type:
Enzyme
Mol. Mass.:
28526.00
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
P9WGR1
Residue:
269
Sequence:
MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL
  
Inhibitor
Name:
BDBM50099588
Synonyms:
CHEMBL3343866
Type:
Small organic molecule
Emp. Form.:
C12H7N5O7S
Mol. Mass.:
365.278
SMILES:
[O-][N+](=O)c1cnc(NC(=O)Cn2c3ccc(cc3oc2=O)[N+]([O-])=O)s1
Structure:
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