Target
3-oxoacyl-[acyl-carrier-protein] synthase 3
Ligand
BDBM23586
Substrate
BDBM3158
Meas. Tech.
FabD/FabH Coupled Assay
pH
7±n/a
Temperature
295.15±n/a K
IC50
62±n/a nM
Citation
 Nie, ZPerretta, CLu, JSu, YMargosiak, SGajiwala, KSCortez, JNikulin, VYager, KMAppelt, KChu, S Structure-based design, synthesis, and study of potent inhibitors of beta-ketoacyl-acyl carrier protein synthase III as potential antimicrobial agents. J Med Chem 48:1596-609 (2005) [PubMed]  Article 
Target
Name:
3-oxoacyl-[acyl-carrier-protein] synthase 3
Synonyms:
3-oxoacyl-[acyl-carrier-protein] synthase 3 | 3-oxoacyl-[acyl-carrier-protein] synthase III | Beta-ketoacyl-ACP synthase III | FABH_ENTFA | KAS III | beta-Ketoacyl-ACP Synthase III (FabH) | fabH
Type:
Acyltransferase; homodimer
Mol. Mass.:
35176.53
Organism:
Enterococcus faecalis
Description:
The E. faecalis FabH was cloned, and protein was expressed in E. coli.
Residue:
321
Sequence:
MKNYARISCTSRYVPENCVTNHQLSEMMDTSDEWIHSRTGISERRIVTQENTSDLCHQVAKQLLEKSGKQASEIDFILVATVTPDFNMPSVACQVQGAIGATEAFAFDISAACSGFVYALSMAEKLVLSGRYQTGLVIGGETFSKMLDWTDRSTAVLFGDGAAGVLIEAAETPHFLNEKLQADGQRWAALTSGYTINESPFYQGHKQASKTLQMEGRSIFDFAIKDVSQNILSLVTDETVDYLLLHQANVRIIDKIARKTKISREKFLTNMDKYGNTSAASIPILLDEAVENGTLILGSQQRVVLTGFGGGLTWGSLLLTL
  
Inhibitor
Name:
BDBM23586
Synonyms:
(3-Phenoxybenzoylamino)benzoic acid deriv., 31 | 2-[(4-bromo-3-phenoxybenzene)amido]-6-hydroxybenzoic acid
Type:
Small organic molecule
Emp. Form.:
C20H14BrNO5
Mol. Mass.:
428.233
SMILES:
OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM3158
Synonyms:
2-{[2,6-dihydroxy-4-({[(4S)-3-[(4-hydroxybenzene)amido]-1-azabicyclo[3.2.2]nonan-4-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid | Balanol analog 24
Type:
Small organic molecule
Emp. Form.:
C30H28N2O10
Mol. Mass.:
576.5507
SMILES:
OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC[N@@](CC2)CC1NC(=O)c1ccc(O)cc1 |wU:23.24,wD:27.28,(10.28,-8.36,;9.72,-9.8,;10.68,-11,;8.2,-10.03,;7.63,-11.46,;6.11,-11.69,;5.15,-10.49,;5.71,-9.05,;4.23,-8.64,;7.24,-8.82,;7.8,-7.39,;9.32,-7.16,;6.84,-6.18,;5.32,-6.41,;4.75,-7.85,;4.36,-5.21,;4.92,-3.78,;6.44,-3.55,;7.4,-4.75,;8.92,-4.52,;3.96,-2.57,;2.44,-2.8,;4.52,-1.14,;3.56,.06,;2.06,-.28,;.86,.68,;.86,2.22,;2.06,3.18,;2.35,2.03,;2.35,.88,;3.56,2.84,;4.23,1.45,;5.77,1.45,;6.54,2.79,;5.77,4.12,;8.08,2.79,;8.85,4.12,;10.39,4.12,;11.16,2.79,;12.7,2.79,;10.39,1.45,;8.85,1.45,)|
Structure:
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