Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96162
Substrate
n/a
IC50
1400±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:
BDBM96162
Synonyms:
7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine | 7-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine | MLS000065337 | SMR000079040 | [7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amine | cid_974684
Type:
Small organic molecule
Emp. Form.:
C12H10ClN5
Mol. Mass.:
259.694
SMILES:
Cc1cc(-c2ccc(Cl)cc2)n2nc(N)nc2n1
Structure:
Search PDB for entries with ligand similarity: