Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96211
Substrate
n/a
IC50
970±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:
BDBM96211
Synonyms:
8-Methoxy-3-pyridin-4-ylmethyl-3,5-dihydro-pyrimido[5,4-b]indol-4-one | 8-methoxy-3-(4-pyridylmethyl)-5H-pyrimid[5,4-b]indol-4-one | 8-methoxy-3-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one | MLS000766602 | SMR000414577 | cid_914878
Type:
Small organic molecule
Emp. Form.:
C17H14N4O2
Mol. Mass.:
306.3187
SMILES:
COc1ccc2[nH]c3c(ncn(Cc4ccncc4)c3=O)c2c1
Structure:
Search PDB for entries with ligand similarity: