Target
Fructose-bisphosphate aldolase
Ligand
BDBM96138
Substrate
n/a
IC50
>369.89±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:
BDBM96138
Synonyms:
4-[(6-methoxyfuro[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester | 4-[[(6-methoxy-2-furo[2,3-b]quinolinyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester | MLS000091909 | SMR000026433 | cid_3239341 | ethyl 4-[(6-methoxyfuro[2,3-b]quinolin-2-yl)carbonylamino]piperidine-1-carboxylate | ethyl 4-[(6-methoxyfuro[2,3-b]quinoline-2-carbonyl)amino]piperidine-1-carboxylate | ethyl 4-{[(6-methoxyfuro[2,3-b]quinolin-2-yl)carbonyl]amino}piperidine-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C21H23N3O5
Mol. Mass.:
397.4244
SMILES:
CCOC(=O)N1CCC(CC1)NC(=O)c1cc2cc3cc(OC)ccc3nc2o1
Structure:
Search PDB for entries with ligand similarity: