Reaction Details Report a problem with these data
Target
Thymidine phosphorylase
Ligand
BDBM50121753
Substrate
n/a
Meas. Tech.
ChEMBL_208390 (CHEMBL815499)
Ki
17±n/a nM
Citation
 McNally, VA; Gbaj, A; Douglas, KT; Stratford, IJ; Jaffar, M; Freeman, S; Bryce, RA Identification of a novel class of inhibitor of human and Escherichia coli thymidine phosphorylase by in silico screening. Bioorg Med Chem Lett 13:3705-9 (2003) [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:
BDBM50121753
Synonyms:
1-(5-Chloro-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylmethyl)-pyrrolidin-2-ylidene-ammonium | 1-[(5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]pyrrolidin-2-iminium
Type:
Small organic molecule
Emp. Form.:
C9H12ClN4O2
Mol. Mass.:
243.67
SMILES:
NC1=[N+](Cc2[nH]c(=O)[nH]c(=O)c2Cl)CCC1 |c:1|
Structure:
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