Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96117
Substrate
n/a
IC50
>9999±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:
BDBM96117
Synonyms:
(4-Methoxy-benzyl)-(4-methoxy-naphthalen-1-ylmethyl)-amine | (4-methoxy-1-naphthyl)methyl-p-anisyl-amine;oxalic acid | MLS001197103 | N-[(4-methoxy-1-naphthalenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid | N-[(4-methoxynaphthalen-1-yl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid | SMR000555600 | cid_17367486 | ethanedioic acid;N-[(4-methoxynaphthalen-1-yl)methyl]-1-(4-methoxyphenyl)methanamine
Type:
Small organic molecule
Emp. Form.:
C20H21NO2
Mol. Mass.:
307.3862
SMILES:
COc1ccc(CNCc2ccc(OC)c3ccccc23)cc1
Structure:
Search PDB for entries with ligand similarity: