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Target
Thymidine phosphorylase
Ligand
BDBM50134399
Substrate
n/a
Meas. Tech.
Thymidine Phosphorylase Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
3.868e+4± 4.42e+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:
BDBM50134399
Synonyms:
1,7-Dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione | 7-Deazaxanthine (7DX) | 7-deazaxanthine | CHEMBL122899
Type:
Small organic molecule
Emp. Form.:
C6H5N3O2
Mol. Mass.:
151.1228
SMILES:
O=c1[nH]c2[nH]ccc2c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: