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Target
Fructose-bisphosphate aldolase
Ligand
BDBM82985
Substrate
n/a
IC50
>9991±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:
BDBM82985
Synonyms:
2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-b]pyridin-2-ylsulfanyl)-N-(5-propylsulfanyl-[1,3,4]thiadiazol-2-yl)-acetamide | 2-[(3-cyano-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]acetamide | 2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide | 2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)thio]-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]acetamide | 2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide | 2-[(3-cyano-7-hydroxy-5-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]acetamide | MLS001222145 | SMR000606821 | cid_54693371 | cid_6501878
Type:
Small organic molecule
Emp. Form.:
C15H13N5O3S4
Mol. Mass.:
439.555
SMILES:
CCCSc1nnc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)s1
Structure:
Search PDB for entries with ligand similarity: