Reaction Details  Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S]
Ligand
BDBM190652
Substrate
n/a
Meas. Tech.
Inhibition Kinetics
IC50
6e+3± 1e+3 nM
Citation
 Neckles, C; Pschibul, A; Lai, CT; Hirschbeck, M; Kuper, J; Davoodi, S; Zou, J; Liu, N; Pan, P; Shah, S; Daryaee, F; Bommineni, GR; Lai, C; Simmerling, C; Kisker, C; Tonge, PJ Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry 55:2992-3006 (2016) [PubMed]  Article
Target
Name:
Enoyl-[acyl-carrier-protein] reductase [NADH] [T276S]
Synonyms:
Enoyl-ACP reductase T276S (T276S ypFabV) | FABV_YERPY | fabV
Type:
Protein
Mol. Mass.:
43321.97
Organism:
Yersinia pestis (Enterobacteria)
Description:
B1JRQ0[T276S]
Residue:
399
Sequence:
MIIKPRVRGFICVTAHPTGCEANVKKQIDYVTTEGPIANGPKRVLVIGASTGYGLAARITAAFGCGADTLGVFFERPGEEGKPGTSGWYNSAAFHKFAAQKGLYAKSINGDAFSDEIKQLTIDAIKQDLGQVDQVIYSLASPRRTHPKTGEVFNSALKPIGNAVNLRGLDTDKEVIKESVLQPATQSEIDSTVAVMGGEDWQMWIDALLDAGVLAEGAQTTAFTYLGEKITHDIYWNGSIGAAKKDLDQKVLAIRESLAAHGGGDARVSVLKAVVSQASSAIPMMPLYLSLLFKVMKEKGTHEGCIEQVYSLYKDSLCGDSPHMDQEGRLRADYKELDPEVQNQVQQLWDQVTNDNIYQLTDFVGYKSEFLNLFGFGIDGVDYDADVNPDVKIPNLIQG
  
Inhibitor
Name:
BDBM190652
Synonyms:
LOX inhibitor, 13 | PT171
Type:
Small organic molecule
Emp. Form.:
C19H25NO
Mol. Mass.:
283.4079
SMILES:
CCCCCCc1ccn(Cc2ccccc2C)c(=O)c1
Structure:
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