Target
Fructose-bisphosphate aldolase
Ligand
BDBM96239
Substrate
n/a
IC50
1263±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:
BDBM96239
Synonyms:
2-(4,7-dimethyl-2-oxidanylidene-chromen-5-yl)oxy-N-(2-oxidanyl-2-phenyl-ethyl)ethanamide | 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-hydroxy-2-phenylethyl)acetamide | 2-[(4,7-dimethyl-2-oxo-1-benzopyran-5-yl)oxy]-N-(2-hydroxy-2-phenylethyl)acetamide | MLS001158247 | N-(2-hydroxy-2-phenyl-ethyl)-2-(2-keto-4,7-dimethyl-chromen-5-yl)oxy-acetamide | SMR000652271 | cid_4910467
Type:
Small organic molecule
Emp. Form.:
C21H21NO5
Mol. Mass.:
367.3951
SMILES:
Cc1cc(OCC(=O)NCC(O)c2ccccc2)c2c(C)cc(=O)oc2c1
Structure:
Search PDB for entries with ligand similarity: