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Target
Fructose-bisphosphate aldolase
Ligand
BDBM96202
Substrate
n/a
IC50
>1110±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:
BDBM96202
Synonyms:
2,3-bis(4-fluorophenyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]-6-quinoxalinecarboxamide | 2,3-bis(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxaline-6-carboxamide | 2,3-bis(4-fluorophenyl)-N-[2-(4-methylpiperazino)ethyl]quinoxaline-6-carboxamide | MLS001028538 | SMR000634098 | cid_22588034
Type:
Small organic molecule
Emp. Form.:
C28H27F2N5O
Mol. Mass.:
487.5437
SMILES:
CN1CCN(CCNC(=O)c2ccc3nc(-c4ccc(F)cc4)c(nc3c2)-c2ccc(F)cc2)CC1
Structure:
Search PDB for entries with ligand similarity: