Reaction Details Report a problem with these data
Target
Thymidine phosphorylase
Ligand
BDBM50208909
Substrate
n/a
Meas. Tech.
ChEMBL_1633221 (CHEMBL3876013)
IC50
65450±n/a nM
Citation
 Bera, H; Chigurupati, S Recent discovery of non-nucleobase thymidine phosphorylase inhibitors targeting cancer. Eur J Med Chem 124:992-1003 (2016) [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:
BDBM50208909
Synonyms:
CHEMBL3883582
Type:
Small organic molecule
Emp. Form.:
C27H26O12
Mol. Mass.:
542.4881
SMILES:
O[C@@H]1[C@H](O)[C@@H](COC(=O)c2ccccc2)O[C@@H](Oc2ccc(O)cc2COc2cccc(C(O)=O)c2O)[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: