Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM96227
Substrate
n/a
IC50
3710±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:
BDBM96227
Synonyms:
1-Furan-2-ylmethyl-2-imino-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid cyclohexylamide | 2-azanylidene-N-cyclohexyl-1-(furan-2-ylmethyl)-5-oxidanylidene-dipyrido[1,2-e:4',3'-f]pyrimidine-3-carboxamide | MLS001221277 | N-cyclohexyl-1-(2-furanylmethyl)-2-imino-5-oxo-3-dipyrido[1,2-e:4',3'-f]pyrimidinecarboxamide | N-cyclohexyl-1-(2-furfuryl)-2-imino-5-keto-dipyrido[1,2-e:4',3'-f]pyrimidine-3-carboxamide | N-cyclohexyl-1-(furan-2-ylmethyl)-2-imino-5-oxodipyrido[1,2-e:4',3'-f]pyrimidine-3-carboxamide | SMR000612015 | cid_1077345
Type:
Small organic molecule
Emp. Form.:
C23H23N5O3
Mol. Mass.:
417.4604
SMILES:
N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1ccco1)C(=O)NC1CCCCC1
Structure:
Search PDB for entries with ligand similarity: