Target
Fructose-bisphosphate aldolase
Ligand
BDBM51701
Substrate
n/a
IC50
1268±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:
BDBM51701
Synonyms:
(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate | (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate | 2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester | 4-methyl-2-phthalimido-valeric acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester | 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoate | MLS000571702 | SMR000193712 | cid_2789059
Type:
Small organic molecule
Emp. Form.:
C26H23NO6
Mol. Mass.:
445.4639
SMILES:
CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
Structure:
Search PDB for entries with ligand similarity: