Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96152
Substrate
n/a
IC50
1526±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:
BDBM96152
Synonyms:
2-keto-6-methoxy-N-(2-pyridylmethyl)chromene-3-carboxamide | 6-Methoxy-2-oxo-2H-chromene-3-carboxylic acid (pyridin-2-ylmethyl)-amide | 6-methoxy-2-oxidanylidene-N-(pyridin-2-ylmethyl)chromene-3-carboxamide | 6-methoxy-2-oxo-N-(2-pyridinylmethyl)-1-benzopyran-3-carboxamide | 6-methoxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide | MLS000528360 | SMR000120935 | cid_1085576
Type:
Small organic molecule
Emp. Form.:
C17H14N2O4
Mol. Mass.:
310.3041
SMILES:
COc1ccc2oc(=O)c(cc2c1)C(=O)NCc1ccccn1
Structure:
Search PDB for entries with ligand similarity: