Reaction Details Report a problem with these data
Target
Thymidine phosphorylase
Ligand
BDBM193748
Substrate
n/a
Meas. Tech.
Thymidine Phosphorylase Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
3.360e+4± 1.01e+3 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:
BDBM193748
Synonyms:
(E)-2-(2-(2-fluorobenzylidene)hydrazinyl)quinoxaline (1)
Type:
Small organic molecule
Emp. Form.:
C15H11FN4
Mol. Mass.:
266.273
SMILES:
Fc1ccccc1\C=N\Nc1cnc2ccccc2n1
Structure:
Search PDB for entries with ligand similarity: