Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96173
Substrate
n/a
IC50
1287±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:
BDBM96173
Synonyms:
(2S)-2-[[(2S)-2-[(5-methoxy-1-methyl-indol-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]propanoic acid | (2S)-2-[[(2S)-2-[(5-methoxy-1-methyl-indole-2-carbonyl)amino]-3-phenyl-propanoyl]amino]propionic acid | (2S)-2-[[(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-3-phenylpropanoyl]amino]propanoic acid | (2S)-2-[[(2S)-2-[[(5-methoxy-1-methyl-2-indolyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid | MLS001214302 | SMR000543866 | cid_16403956
Type:
Small organic molecule
Emp. Form.:
C23H25N3O5
Mol. Mass.:
423.4617
SMILES:
COc1ccc2n(C)c(cc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Structure:
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