Reaction Details
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Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
Ligand
BDBM8736
Substrate
Crotonoyl-ACP
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5±n/a
Temperature
303.15±n/a K
IC50
20±20 nM
Citation
Seefeld, MA; Miller, WH; Newlander, KA; Burgess, WJ; DeWolf, WE; Elkins, PA; Head, MS; Jakas, DR; Janson, CA; Keller, PM; Manley, PJ; Moore, TD; Payne, DJ; Pearson, S; Polizzi, BJ; Qiu, X; Rittenhouse, SF; Uzinskas, IN; Wallis, NG; Huffman, WF Indole naphthyridinones as inhibitors of bacterial enoyl-ACP reductases FabI and FabK. J Med Chem 46:1627-35 (2003) [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:
BDBM8736
Synonyms:
(2E)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethyl-1H-indol-3-yl)methyl]prop-2-enamide | (E)-N-Methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-N-(1,2,7-trimethyl-1H-indol-3-ylmethyl)acrylamide | indole naphthyridinone 32
Type:
Small organic molecule
Emp. Form.:
C24H26N4O2
Mol. Mass.:
402.4888
SMILES:
CN(Cc1c(C)n(C)c2c(C)cccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Structure:
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