Reaction Details Report a problem with these data
Target
Thymidine phosphorylase
Ligand
BDBM20052
Substrate
BDBM1
Meas. Tech.
Enzyme Inhibition Assay
IC50
2500±n/a nM
Citation
 Nencka, R; Votruba, I; Hrebabecký, H; Tloust'ová, E; Horská, K; Masojídková, M; Holý, A Design and synthesis of novel 5,6-disubstituted uracil derivatives as potent inhibitors of thymidine phosphorylase. Bioorg Med Chem Lett 16:1335-7 (2006) [PubMed]  Article 
Target
Name:
Thymidine phosphorylase
Synonyms:
TYPH_ECOLI | TdRPase | Thymidine Phosphorylase (TP) | deoA | tpp | ttg
Type:
Enzyme
Mol. Mass.:
47198.54
Organism:
Escherichia coli
Description:
n/a
Residue:
440
Sequence:
MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE
  
Inhibitor
Name:
BDBM20052
Synonyms:
5-bromo-6-({2-[(5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]ethyl}amino)-1,2,3,4-tetrahydropyrimidine-2,4-dione | bis-uracil, 22
Type:
Small organic molecule
Emp. Form.:
C10H10Br2N6O4
Mol. Mass.:
438.032
SMILES:
Brc1c(NCCNc2[nH]c(=O)[nH]c(=O)c2Br)[nH]c(=O)[nH]c1=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM1
Synonyms:
dT | thymidine
Type:
Nucleoside or nucleotide
Emp. Form.:
C10H14N2O5
Mol. Mass.:
242.2286
SMILES:
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Structure:
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