Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM49608
Substrate
n/a
IC50
6078±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:
BDBM49608
Synonyms:
3-(4-Biphenyl-4-yl-thiazol-2-ylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one | 6,7-dimethoxy-3-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one | 6,7-dimethoxy-3-[[4-(4-phenylphenyl)-2-thiazolyl]amino]-3H-isobenzofuran-1-one | 6,7-dimethoxy-3-[[4-(4-phenylphenyl)thiazol-2-yl]amino]phthalide | MLS000588041 | SMR000220040 | cid_3792553
Type:
Small organic molecule
Emp. Form.:
C25H20N2O4S
Mol. Mass.:
444.502
SMILES:
COc1ccc2C(Nc3nc(cs3)-c3ccc(cc3)-c3ccccc3)OC(=O)c2c1OC
Structure:
Search PDB for entries with ligand similarity: