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Targetbeta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)
LigandBDBM31927
Substrate/CompetitorBDBM8737
Meas. Tech.Enzymatic Inhibition Assay
pH8±n/a
Temperature298.15±n/a K
IC50 1500±250 nM
Comments94.2% inhibition @ 50 uM.
Citation He, LZhang, LLiu, XLi, XZheng, MLi, HYu, KChen, KShen, XJiang, HLiu, H Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J Med Chem52:2465-81 (2009) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)
Name:beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ)
Synonyms:(3R)-hydroxymyristoyl ACP dehydrase | (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase
Type:Lyase
Mol. Mass.:18198.05
Organism:Helicobacter pylori (Campylobacter pylori)
Description:HpfabZ is expressed and purified from E. coli.
Residue:159
Sequence:
MEQSHQNLQSQFFIEHILQILPHRYPMLLVDRIIELQANKKIVAYKNITFNEDVFNGHFP
NKPIFPGVLIVEGMAQTGGFLAFTSLWGFDPEIAKTKIVYFMTIDKVKFRIPVTPGDRLE
YHLEVLKHKGMIWQVGGTAQVDGKVVAEAELKAMIAERD
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BDBM31927
NameBDBM31927
Synonyms:carbohydrazide derivative, 3j
TypeSmall organic molecule
Emp. Form.C14H9Br3N2O3
Mol. Mass.492.945
SMILESOc1c(Br)cc(\C=N\NC(=O)c2ccc(Br)cc2)c(O)c1Br
Structure
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BDBM8737
NameBDBM8737
Synonyms:2-Butenoyl-CoA | But-2-enoyl-CoA | Crotonoyl-CoA | trans-butyr-2-enoyl-CoA | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-but-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
TypeSmall organic molecule
Emp. Form.C25H40N7O17P3S
Mol. Mass.835.608
SMILESC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
Structure
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