Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96122
Substrate
n/a
IC50
1174±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:
BDBM96122
Synonyms:
1-[4-[2-(5-chloranylthiophen-2-yl)quinolin-4-yl]carbonylpiperazin-1-yl]ethanone | 1-[4-[2-(5-chloro-2-thienyl)quinoline-4-carbonyl]piperazino]ethanone | 1-[4-[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]ethanone | 1-[4-[[2-(5-chloro-2-thiophenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]ethanone | MLS001128134 | SMR000712103 | cid_24982832
Type:
Small organic molecule
Emp. Form.:
C20H18ClN3O2S
Mol. Mass.:
399.894
SMILES:
CC(=O)N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccc(Cl)s1
Structure:
Search PDB for entries with ligand similarity: