Reaction Details  Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADH]
Ligand
BDBM50537361
Substrate
n/a
Meas. Tech.
ChEMBL_1936197 (CHEMBL4481956)
IC50
25800±n/a nM
Citation
 Xu, JF; Wang, TT; Yuan, Q; Duan, YT; Xu, YJ; Lv, PC; Wang, XM; Yang, YS; Zhu, HL Discovery and development of novel rhodanine derivatives targeting enoyl-acyl carrier protein reductase. Bioorg Med Chem 27:1509-1516 (2019) [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:
BDBM50537361
Synonyms:
CHEMBL4557146
Type:
Small organic molecule
Emp. Form.:
C18H12ClNO2S2
Mol. Mass.:
373.876
SMILES:
Clc1ccccc1\C=C1\SC(=S)N(CC(=O)c2ccccc2)C1=O
Structure:
Search PDB for entries with ligand similarity: