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Target
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
Ligand
BDBM8716
Substrate
Crotonoyl-ACP
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5±n/a
Temperature
303.15±n/a K
IC50
6700±500 nM
Citation
 Miller, WH; Seefeld, MA; Newlander, KA; Uzinskas, IN; Burgess, WJ; Heerding, DA; Yuan, CC; Head, MS; Payne, DJ; Rittenhouse, SF; Moore, TD; Pearson, SC; Berry, V; DeWolf, WE; Keller, PM; Polizzi, BJ; Qiu, X; Janson, CA; Huffman, WF Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI). J Med Chem 45:3246-56 (2002) [PubMed]  Article 
Target
Name:
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
Synonyms:
Enoyl-ACP Reductase (FabI) | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | FABI_STAAR | NADPH-dependent enoyl-ACP reductase | fabI | trans-2-enoyl-[acyl carrier protein] reductase
Type:
Enzyme
Mol. Mass.:
27989.00
Organism:
Staphylococcus aureus
Description:
Q6GI75
Residue:
256
Sequence:
MLNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGFHAIK
  
Inhibitor
Name:
BDBM8716
Synonyms:
3-[(N-Acetyl-N-methylamino)methyl]-4-amino-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)benzamide | 4-amino-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-[(N-methylacetamido)methyl]benzamide | benzamide deriv. 5
Type:
Small organic molecule
Emp. Form.:
C22H26N4O2
Mol. Mass.:
378.4674
SMILES:
CN(Cc1cc2ccccc2n1C)C(=O)c1ccc(N)c(CN(C)C(C)=O)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Crotonoyl-ACP
Synonyms:
n/a
Type:
Other Protein Type
Mol. Mass.:
358.43
Organism:
n/a
Description:
1. NAD(P)H is its co-substrate. 2. Crotonoyl-ACP was synthesized using ACP synthase to catalyse the addition of a crotonoyl group from crotonoyl-CoA to apo-ACP
Residue:
3
Sequence:
NA