Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM37759
Substrate
n/a
IC50
1555±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:
BDBM37759
Synonyms:
2-furancarboxylic acid [3-(2-methoxyphenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester | 3-(2-methoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2-furoate | MLS000088249 | SMR000072493 | [3-(2-methoxyphenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] furan-2-carboxylate | [3-(2-methoxyphenyl)-2-methyl-4-oxochromen-7-yl] furan-2-carboxylate | cid_1306464 | furan-2-carboxylic acid [4-keto-3-(2-methoxyphenyl)-2-methyl-chromen-7-yl] ester
Type:
Small organic molecule
Emp. Form.:
C22H16O6
Mol. Mass.:
376.3588
SMILES:
COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O |(3.08,1.74,;4.41,.97,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;5.75,-1.34,;7.08,-.57,;7.08,.97,;5.75,1.74,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;16.67,3.32,;18.18,3.65,;18.95,2.32,;17.93,1.17,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,)|
Structure:
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