Reaction Details Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADH]
Ligand
BDBM50101572
Substrate
n/a
Meas. Tech.
ChEMBL_1460521 (CHEMBL3395431)
IC50
>50000±n/a nM
Citation
 Rotta, M; Pissinate, K; Villela, AD; Back, DF; Timmers, LF; Bachega, JF; de Souza, ON; Santos, DS; Basso, LA; Machado, P Piperazine derivatives: synthesis, inhibition of the Mycobacterium tuberculosis enoyl-acyl carrier protein reductase and SAR studies. Eur J Med Chem 90:436-47 (2015) [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:
BDBM50101572
Synonyms:
CHEMBL3393969
Type:
Small organic molecule
Emp. Form.:
C26H24N2O
Mol. Mass.:
380.4816
SMILES:
O=C(\C=C\c1ccccc1)N1CCN(CC1)C1c2ccccc2-c2ccccc12
Structure:
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