Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96149
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:
BDBM96149
Synonyms:
4-[2-hydroxy-3-(2-isopropyl-5-methyl-cyclohexoxy)propyl]piperazine-1-carboxylic acid ethyl ester;hydrochloride | 4-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]-1-piperazinecarboxylic acid ethyl ester;hydrochloride | MLS000534021 | SMR000141457 | cid_2770559 | ethyl 4-[2-hydroxy-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropyl]piperazine-1-carboxylate;hydrochloride | ethyl 4-[3-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanyl-propyl]piperazine-1-carboxylate;hydrochloride | ethyl 4-{2-hydroxy-3-[(2-isopropyl-5-methylcyclohexyl)oxy]propyl}-1-piperazinecarboxylate hydrochloride
Type:
Small organic molecule
Emp. Form.:
C20H38N2O4
Mol. Mass.:
370.5267
SMILES:
CCOC(=O)N1CCN(CC(O)COC2CC(C)CCC2C(C)C)CC1
Structure:
Search PDB for entries with ligand similarity: