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Target
Fructose-bisphosphate aldolase
Ligand
BDBM96197
Substrate
n/a
IC50
832.61±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:
BDBM96197
Synonyms:
4-[(2-chlorophenyl)methylsulfanyl]-6,7-dimethyl-pyrido[2,3-d]pyrimidin-2-amine | 4-[(2-chlorophenyl)methylsulfanyl]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-amine | 4-[(2-chlorophenyl)methylthio]-6,7-dimethyl-2-pyrido[2,3-d]pyrimidinamine | MLS002667679 | SMR001557439 | [4-[(2-chlorobenzyl)thio]-6,7-dimethyl-pyrido[2,3-d]pyrimidin-2-yl]amine | cid_243964
Type:
Small organic molecule
Emp. Form.:
C16H15ClN4S
Mol. Mass.:
330.835
SMILES:
Cc1cc2c(SCc3ccccc3Cl)nc(N)nc2nc1C
Structure:
Search PDB for entries with ligand similarity: