Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96206
Substrate
n/a
IC50
>9991±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:
BDBM96206
Synonyms:
MLS000775730 | N,N-dimethylformamide;(E)-3-(3-fluorophenyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-2-propenamide | N,N-dimethylformamide;(E)-3-(3-fluorophenyl)-N-[4-(2-pyrimidylsulfamoyl)phenyl]acrylamide | N,N-dimethylformamide;(E)-3-(3-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide | N,N-dimethylmethanamide;(E)-3-(3-fluorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide | SMR000369298 | cid_16241998
Type:
Small organic molecule
Emp. Form.:
C19H15FN4O3S
Mol. Mass.:
398.411
SMILES:
Fc1cccc(\C=C\C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)c1
Structure:
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