Target
Fructose-bisphosphate aldolase
Ligand
BDBM96168
Substrate
n/a
IC50
2289±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:
BDBM96168
Synonyms:
5-(3-chlorophenyl)-2-keto-1H-pyridine-3-carbonitrile | 5-(3-chlorophenyl)-2-oxidanylidene-1H-pyridine-3-carbonitrile | 5-(3-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile | 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile | MLS000328029 | SMR000168553 | cid_1479121
Type:
Small organic molecule
Emp. Form.:
C12H7ClN2O
Mol. Mass.:
230.65
SMILES:
Clc1cccc(c1)-c1c[nH]c(=O)c(c1)C#N
Structure:
Search PDB for entries with ligand similarity: