Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96113
Substrate
n/a
IC50
>9989±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:
BDBM96113
Synonyms:
MLS000097244 | SMR000075758 | [4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone | [4-(2-hydroxy-3-morpholino-propoxy)phenyl]-phenyl-methanone | [4-(3-morpholin-4-yl-2-oxidanyl-propoxy)phenyl]-phenyl-methanone | [4-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]-phenylmethanone | cid_2951338 | {4-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl}(phenyl)methanone
Type:
Small organic molecule
Emp. Form.:
C20H23NO4
Mol. Mass.:
341.4009
SMILES:
OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCOCC1
Structure:
Search PDB for entries with ligand similarity: