Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96153
Substrate
n/a
IC50
>9989±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:
BDBM96153
Synonyms:
2,2'-[(2,5-dimethyl-3,4-furandiyl)bis(carbonylimino-4,1-phenylene)]diacetic acid | 2-[4-[[4-[[4-(2-hydroxy-2-oxoethyl)phenyl]carbamoyl]-2,5-dimethyl-furan-3-yl]carbonylamino]phenyl]ethanoic acid | 2-[4-[[4-[[4-(carboxymethyl)phenyl]carbamoyl]-2,5-dimethyl-3-furoyl]amino]phenyl]acetic acid | 2-[4-[[4-[[4-(carboxymethyl)phenyl]carbamoyl]-2,5-dimethylfuran-3-carbonyl]amino]phenyl]acetic acid | 2-[4-[[[4-[[4-(carboxymethyl)anilino]-oxomethyl]-2,5-dimethyl-3-furanyl]-oxomethyl]amino]phenyl]acetic acid | MLS000862107 | SMR000075734 | cid_1264004
Type:
Small organic molecule
Emp. Form.:
C24H22N2O7
Mol. Mass.:
450.4407
SMILES:
Cc1oc(C)c(C(=O)Nc2ccc(CC(O)=O)cc2)c1C(=O)Nc1ccc(CC(O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: