Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96184
Substrate
n/a
IC50
913±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:
BDBM96184
Synonyms:
MLS002402779 | SMR001370548 | [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-diphenyl-5-indolyl]methanol | [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-diphenyl-indol-5-yl]methanol | [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-diphenylindol-5-yl]methanol | cid_44142269
Type:
Small organic molecule
Emp. Form.:
C29H23NO3
Mol. Mass.:
433.4978
SMILES:
OCc1ccc2n(c(c(-c3ccc4OCCOc4c3)c2c1)-c1ccccc1)-c1ccccc1
Structure:
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