Reaction Details Report a problem with these data
Target
Thymidine phosphorylase
Ligand
BDBM50121754
Substrate
n/a
Meas. Tech.
ChEBML_208388
Ki
76000±n/a nM
Citation
 Price, ML; Guida, WC; Jackson, TE; Nydick, JA; Gladstone, PL; Juarez, JC; Doñate, F; Ternansky, RJ Design of novel N-(2,4-dioxo-1,2,3,4-tetrahydro-thieno[3,2-d]pyrimidin-7-yl)-guanidines as thymidine phosphorylase inhibitors, and flexible docking to a homology model. Bioorg Med Chem Lett 13:107-10 (2002) [PubMed]  Article 
Target
Name:
Thymidine phosphorylase
Synonyms:
ECGF1 | Gliostatin | PD-ECGF | Platelet-derived endothelial cell growth factor | TP | TYMP | TYPH_HUMAN | TdRPase | Thymidine Phosphorylase (TP) | Thymidine phosphorylase
Type:
Enzyme
Mol. Mass.:
49948.87
Organism:
Homo sapiens (Human)
Description:
The recombinant human thymidine phosphorylase (V79TP) was expressed in V79 Chinese hamster cells (Sigma, T-9319).
Residue:
482
Sequence:
MAALMTPGTGAPPAPGDFSGEGSQGLPDPSPEPKQLPELIRMKRDGGRLSEADIRGFVAAVVNGSAQGAQIGAMLMAIRLRGMDLEETSVLTQALAQSGQQLEWPEAWRQQLVDKHSTGGVGDKVSLVLAPALAACGCKVPMISGRGLGHTGGTLDKLESIPGFNVIQSPEQMQVLLDQAGCCIVGQSEQLVPADGILYAARDVTATVDSLPLITASILSKKLVEGLSALVVDVKFGGAAVFPNQEQARELAKTLVGVGASLGLRVAAALTAMDKPLGRCVGHALEVEEALLCMDGAGPPDLRDLVTTLGGALLWLSGHAGTQAQGAARVAAALDDGSALGRFERMLAAQGVDPGLARALCSGSPAERRQLLPRAREQEELLAPADGTVELVRALPLALVLHELGAGRSRAGEPLRLGVGAELLVDVGQRLRRGTPWLRVHRDGPALSGPQSRALQEALVLSDRAPFAAPSPFAELVLPPQQ
  
Inhibitor
Name:
BDBM50121754
Synonyms:
CHEMBL12488 | amino[(2,4-dioxo-1,2,3,4-tetrahydrothieno[3,2-d]pyrimidin-7-yl)amino]methaniminium acetate
Type:
Small organic molecule
Emp. Form.:
C7H8N5O2S
Mol. Mass.:
226.235
SMILES:
NC(N)=[NH+]c1csc2c1[nH]c(=O)[nH]c2=O |(1.23,-2.42,;2.27,-3.56,;1.8,-5.03,;3.78,-3.23,;4.22,-1.76,;3.32,-.52,;4.22,.74,;5.69,.27,;5.7,-1.26,;7.02,-2.04,;8.36,-1.27,;9.7,-2.04,;8.36,.27,;7.01,1.05,;7.01,2.59,)|
Structure:
Search PDB for entries with ligand similarity: