Target
Fructose-bisphosphate aldolase
Ligand
BDBM58897
Substrate
n/a
IC50
1856±n/a nM
Citation
 PubChem, PC Fluorescence-based biochemical high throughput dose response assay for inhibitors of the fructose-bisphosphate aldolase (FBA) of M. tuberculosis PubChem Bioassay (2013)[AID] 
Target
Name:
Fructose-bisphosphate aldolase
Synonyms:
ALF_MYCTU | FBP aldolase | FBPA | Fructose-1,6-bisphosphate aldolase | Fructose-1,6-bisphosphate aldolase (FBA) | Fructose-bisphosphate aldolase | Probable fructose-bisphosphate aldolase Fba | fba
Type:
Protein
Mol. Mass.:
36539.01
Organism:
Mycobacterium tuberculosis (strain H37Rv)
Description:
P9WQA3
Residue:
344
Sequence:
MPIATPEVYAEMLGQAKQNSYAFPAINCTSSETVNAAIKGFADAGSDGIIQFSTGGAEFGSGLGVKDMVTGAVALAEFTHVIAAKYPVNVALHTDHCPKDKLDSYVRPLLAISAQRVSKGGNPLFQSHMWDGSAVPIDENLAIAQELLKAAAAAKIILEIEIGVVGGEEDGVANEINEKLYTSPEDFEKTIEALGAGEHGKYLLAATFGNVHGVYKPGNVKLRPDILAQGQQVAAAKLGLPADAKPFDFVFHGGSGSLKSEIEEALRYGVVKMNVDTDTQYAFTRPIAGHMFTNYDGVLKVDGEVGVKKVYDPRSYLKKAEASMSQRVVQACNDLHCAGKSLTH
  
Inhibitor
Name:
BDBM58897
Synonyms:
4-[2,4,6-tris(4-methylphenyl)-1-pyridin-1-iumyl]benzoate | 4-[2,4,6-tris(4-methylphenyl)pyridin-1-ium-1-yl]benzoate | 4-[2,4,6-tris(p-tolyl)pyridin-1-ium-1-yl]benzoate | MLS001240939 | SMR000841264 | cid_3449593
Type:
Small organic molecule
Emp. Form.:
C33H27NO2
Mol. Mass.:
469.573
SMILES:
Cc1ccc(cc1)-c1cc(-c2ccc(C)cc2)[n+](-c2ccc(cc2)C([O-])=O)c(c1)-c1ccc(C)cc1
Structure:
Search PDB for entries with ligand similarity: