Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96204
Substrate
n/a
IC50
1316±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:
BDBM96204
Synonyms:
2-(2-keto-4,7-dimethyl-chromen-5-yl)oxy-N-(3-morpholinopropyl)propionamide | 2-(4,7-dimethyl-2-oxidanylidene-chromen-5-yl)oxy-N-(3-morpholin-4-ylpropyl)propanamide | 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(3-morpholin-4-ylpropyl)propanamide | 2-[(4,7-dimethyl-2-oxo-1-benzopyran-5-yl)oxy]-N-[3-(4-morpholinyl)propyl]propanamide | MLS001160239 | SMR000652800 | cid_4912388
Type:
Small organic molecule
Emp. Form.:
C21H28N2O5
Mol. Mass.:
388.4574
SMILES:
CC(Oc1cc(C)cc2oc(=O)cc(C)c12)C(=O)NCCCN1CCOCC1
Structure:
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