Reaction Details Report a problem with these data
Target
Fructose-bisphosphate aldolase
Ligand
BDBM50330436
Substrate
n/a
Meas. Tech.
ChEMBL_684842 (CHEMBL1286072)
Ki
170±n/a nM
Citation
 Daher, R; Coinçon, M; Fonvielle, M; Gest, PM; Guerin, ME; Jackson, M; Sygusch, J; Therisod, M Rational design, synthesis, and evaluation of new selective inhibitors of microbial class II (zinc dependent) fructose bis-phosphate aldolases. J Med Chem 53:7836-42 (2010) [PubMed]  Article 
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:
BDBM50330436
Synonyms:
2-(hydroxy(3-hydroxypropyl)amino)-2-oxoethyl hydrogen phosphate | CHEMBL1276292
Type:
Small organic molecule
Emp. Form.:
C5H12NO7P
Mol. Mass.:
229.125
SMILES:
OCCCN(O)C(=O)COP(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: