Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96163
Substrate
n/a
IC50
>9986±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:
BDBM96163
Synonyms:
1-[1-[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]-3-methyl-butyl]-4-phenyl-piperazine | 1-[1-[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]-3-methylbutyl]-4-phenylpiperazine | 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine | 1-[3-methyl-1-(1-p-anisyltetrazol-5-yl)butyl]-4-phenyl-piperazine | 1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine | MLS000073415 | SMR000004992 | cid_654297
Type:
Small organic molecule
Emp. Form.:
C24H32N6O
Mol. Mass.:
420.5505
SMILES:
COc1ccc(Cn2nnnc2C(CC(C)C)N2CCN(CC2)c2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: