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Target
Fructose-bisphosphate aldolase
Ligand
BDBM96181
Substrate
n/a
IC50
>369.97±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:
BDBM96181
Synonyms:
2-(3-ethyl-2-keto-4-methyl-chromen-7-yl)oxyacetamide | 2-(3-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanamide | 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetamide | 2-[(3-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetamide | 2-[(3-ethyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide | MLS000088215 | SMR000072456 | cid_889783
Type:
Small organic molecule
Emp. Form.:
C14H15NO4
Mol. Mass.:
261.2732
SMILES:
CCc1c(C)c2ccc(OCC(N)=O)cc2oc1=O
Structure:
Search PDB for entries with ligand similarity: