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Target
Fructose-bisphosphate aldolase
Ligand
BDBM96139
Substrate
n/a
IC50
212.51±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:
BDBM96139
Synonyms:
2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine | MLS000519271 | N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-(4-morpholinyl)-N4-prop-2-enyl-1,3,5-triazine-2,4-diamine | N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-morpholin-4-yl-N4-prop-2-enyl-1,3,5-triazine-2,4-diamine | SMR000129690 | allyl-[4-[4-(1,3-benzoxazol-2-yl)anilino]-6-morpholino-s-triazin-2-yl]amine | cid_3677189
Type:
Small organic molecule
Emp. Form.:
C23H23N7O2
Mol. Mass.:
429.4744
SMILES:
C=CCNc1nc(Nc2ccc(cc2)-c2nc3ccccc3o2)nc(n1)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: