Reaction Details Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADH]
Ligand
BDBM8726
Substrate
n/a
Meas. Tech.
ChEMBL_2019924 (CHEMBL4673737)
IC50
1000±n/a nM
Citation
 Fernández de Luco, J; Recio-Balsells, AI; Ghiano, DG; Bortolotti, A; Belardinelli, JM; Liu, N; Hoffmann, P; Lherbet, C; Tonge, PJ; Tekwani, B; Morbidoni, HR; Labadie, GR Exploring the chemical space of 1,2,3-triazolyl triclosan analogs for discovery of new antileishmanial chemotherapeutic agents. RSC Med Chem 12:120-128 (2021) [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:
BDBM8726
Synonyms:
5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849 | TCL | Triclosan | US20230414581, Compound 35
Type:
Small organic molecule
Emp. Form.:
C12H7Cl3O2
Mol. Mass.:
289.542
SMILES:
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Structure:
Search PDB for entries with ligand similarity: