Reaction Details Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADH]
Ligand
BDBM50448861
Substrate
n/a
Meas. Tech.
ChEMBL_1296166 (CHEMBL3132000)
IC50
34±n/a nM
Citation
 Encinas, L; O'Keefe, H; Neu, M; Remuiñán, MJ; Patel, AM; Guardia, A; Davie, CP; Pérez-Macías, N; Yang, H; Convery, MA; Messer, JA; Pérez-Herrán, E; Centrella, PA; Alvarez-Gómez, D; Clark, MA; Huss, S; O'Donovan, GK; Ortega-Muro, F; McDowell, W; Castañeda, P; Arico-Muendel, CC; Pajk, S; Rullás, J; Angulo-Barturen, I; Alvarez-Ruíz, E; Mendoza-Losana, A; Ballell Pages, L; Castro-Pichel, J; Evindar, G Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA. J Med Chem 57:1276-88 (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:
BDBM50448861
Synonyms:
CHEMBL3125272
Type:
Small organic molecule
Emp. Form.:
C23H27N5O4
Mol. Mass.:
437.4916
SMILES:
CCNC(=O)[C@@H]1C[C@H](CN1C(=O)c1coc2ccccc12)NC(=O)c1cc(CC)nn1C |r|
Structure:
Search PDB for entries with ligand similarity: