Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96115
Substrate
n/a
IC50
>1109±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:
BDBM96115
Synonyms:
2-(6-Amino-2-methyl-4-oxo-4H-quinazolin-3-yl)-N-o-tolyl-acetamide | 2-(6-amino-2-methyl-4-oxo-3-quinazolinyl)-N-(2-methylphenyl)acetamide | 2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide | 2-(6-amino-4-keto-2-methyl-quinazolin-3-yl)-N-(o-tolyl)acetamide | 2-(6-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)-N-(2-methylphenyl)ethanamide | MLS000527080 | SMR000117554 | cid_1166507
Type:
Small organic molecule
Emp. Form.:
C18H18N4O2
Mol. Mass.:
322.3611
SMILES:
Cc1ccccc1NC(=O)Cn1c(C)nc2ccc(N)cc2c1=O
Structure:
Search PDB for entries with ligand similarity: