Target
Fructose-bisphosphate aldolase
Ligand
BDBM96132
Substrate
n/a
IC50
>370.27±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:
BDBM96132
Synonyms:
11-keto-5,5-dimethyl-isochromeno[4,3-g]chromene-9-carboxylic acid | 5,5-dimethyl-11-oxidanylidene-isochromeno[4,3-g]chromene-9-carboxylic acid | 5,5-dimethyl-11-oxo-9-[2]benzopyrano[4,3-g][1]benzopyrancarboxylic acid | 5,5-dimethyl-11-oxoisochromeno[4,3-g]chromene-9-carboxylic acid | MLS003115650 | SMR001831222 | cid_72774
Type:
Small organic molecule
Emp. Form.:
C19H14O5
Mol. Mass.:
322.3115
SMILES:
CC1(C)Oc2cc3oc(cc(=O)c3cc2-c2ccccc12)C(O)=O
Structure:
Search PDB for entries with ligand similarity: