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Target
Fructose-bisphosphate aldolase
Ligand
BDBM96218
Substrate
n/a
IC50
672.74±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:
BDBM96218
Synonyms:
2-Amino-1-(4-sulfamoyl-phenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylic acid propylamide | 2-amino-N-propyl-1-(4-sulfamoylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide | 2-amino-N-propyl-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2-azanyl-N-propyl-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide | MLS000551687 | SMR000145612 | cid_2001411
Type:
Small organic molecule
Emp. Form.:
C20H20N6O3S
Mol. Mass.:
424.476
SMILES:
CCCNC(=O)c1c(N)n(-c2ccc(cc2)S(N)(=O)=O)c2nc3ccccc3nc12
Structure:
Search PDB for entries with ligand similarity: