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Target
Thymidine phosphorylase
Ligand
BDBM193765
Substrate
n/a
Meas. Tech.
Thymidine Phosphorylase Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
3.2e+3± 3e+2 nM
Comments
extracted
Citation
 Taha, M; Ismail, NH; Imran, S; Rahim, F; Wadood, A; Al Muqarrabun, LM; Khan, KM; Ghufran, M; Ali, M In silico binding analysis and SAR elucidations of newly designed benzopyrazine analogs as potent inhibitors of thymidine phosphorylase. Bioorg Chem 68:80-89 (2016) [PubMed]  Article 
Target
Name:
Thymidine phosphorylase
Synonyms:
TYPH_ECO45 | Thymidine phosphorylase (TP) | deoA
Type:
Protein
Mol. Mass.:
47198.54
Organism:
Escherichia coli (Enterobacteria)
Description:
B7MNI9
Residue:
440
Sequence:
MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE
  
Inhibitor
Name:
BDBM193765
Synonyms:
(E)-5-((2-(quinoxalin-2-yl)hydrazono)methyl)benzene-1,2,4-triol (18)
Type:
Small organic molecule
Emp. Form.:
C15H12N4O3
Mol. Mass.:
296.2808
SMILES:
Oc1cc(O)c(\C=N\Nc2cnc3ccccc3n2)cc1O
Structure:
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