Target
Fructose-bisphosphate aldolase
Ligand
BDBM55967
Substrate
n/a
IC50
>3329±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:
BDBM55967
Synonyms:
MLS000031765 | N-(5,7-Dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-4-methoxy-N-[3-(2-oxo-pyrrolidin-1-yl)-propyl]-benzenesulfonamide | N-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-N-[3-(2-ketopyrrolidino)propyl]-4-methoxy-benzenesulfonamide | N-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]benzenesulfonamide | N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxo-1-pyrrolidinyl)propyl]benzenesulfonamide | N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide | SMR000004526 | cid_647375
Type:
Small organic molecule
Emp. Form.:
C26H31N3O5S
Mol. Mass.:
497.606
SMILES:
COc1ccc(cc1)S(=O)(=O)N(CCCN1CCCC1=O)Cc1cc2c(C)cc(C)cc2[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: