Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM52034
Substrate
n/a
IC50
1647±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:
BDBM52034
Synonyms:
(2R)-1-[2-(4-ethyl-2-keto-8-methyl-chromen-7-yl)oxyacetyl]proline | (2R)-1-[2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]pyrrolidine-2-carboxylic acid | (2R)-1-[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid | (2R)-1-[2-[(4-ethyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-2-pyrrolidinecarboxylic acid | MLS001139413 | SMR000647073 | cid_6569385
Type:
Small organic molecule
Emp. Form.:
C19H21NO6
Mol. Mass.:
359.3731
SMILES:
CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(O)=O)ccc12
Structure:
Search PDB for entries with ligand similarity: