Target
Fructose-bisphosphate aldolase
Ligand
BDBM96170
Substrate
n/a
IC50
1319±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:
BDBM96170
Synonyms:
3-(phenylmethyl)-7-propyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione | 3-benzyl-7-propyl-8-(3,4,5-trimethoxyphenyl)purine-2,6-dione | 3-benzyl-7-propyl-8-(3,4,5-trimethoxyphenyl)xanthine | MLS001174740 | SMR000594744 | cid_4271012
Type:
Small organic molecule
Emp. Form.:
C24H26N4O5
Mol. Mass.:
450.487
SMILES:
CCCn1c(nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c12)-c1cc(OC)c(OC)c(OC)c1
Structure:
Search PDB for entries with ligand similarity: