Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96180
Substrate
n/a
IC50
1198±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:
BDBM96180
Synonyms:
2-amino-4-(4-bromophenyl)-6-(3-pyridinyl)-3-pyridinecarbonitrile | 2-amino-4-(4-bromophenyl)-6-(3-pyridyl)nicotinonitrile | 2-amino-4-(4-bromophenyl)-6-pyridin-3-ylpyridine-3-carbonitrile | 2-azanyl-4-(4-bromophenyl)-6-pyridin-3-yl-pyridine-3-carbonitrile | 6-Amino-4-(4-bromo-phenyl)-[2,3']bipyridinyl-5-carbonitrile | MLS000580843 | SMR000220245 | cid_3517909
Type:
Small organic molecule
Emp. Form.:
C17H11BrN4
Mol. Mass.:
351.2
SMILES:
Nc1nc(cc(-c2ccc(Br)cc2)c1C#N)-c1cccnc1
Structure:
Search PDB for entries with ligand similarity: