Reaction Details Report a problem with these data
Target
Thymidine phosphorylase
Ligand
BDBM20053
Substrate
BDBM1
Meas. Tech.
Enzyme Inhibition Assay
IC50
8700±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
More Info.:
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:
BDBM20053
Synonyms:
5-chloro-6-[4-(5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperazin-1-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione | bis-uracil, 23
Type:
Small organic molecule
Emp. Form.:
C12H12Cl2N6O4
Mol. Mass.:
375.167
SMILES:
Clc1c([nH]c(=O)[nH]c1=O)N1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl