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Target
Fructose-bisphosphate aldolase
Ligand
BDBM96112
Substrate
n/a
IC50
>9996±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:
BDBM96112
Synonyms:
2-amino-4-cyclopropyl-6-phenyl-cyclohexa-1,3-diene-1,3-dicarbonitrile | 2-amino-4-cyclopropyl-6-phenylcyclohexa-1,3-diene-1,3-dicarbonitrile | 2-azanyl-4-cyclopropyl-6-phenyl-cyclohexa-1,3-diene-1,3-dicarbonitrile | MLS000037765 | SMR000039375 | cid_658475
Type:
Small organic molecule
Emp. Form.:
C17H15N3
Mol. Mass.:
261.3211
SMILES:
N=C1C(C#N)C(CC(C2CC2)=C1C#N)c1ccccc1 |c:11|
Structure:
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