Reaction Details |
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Target | Thymidine phosphorylase |
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Ligand | BDBM50121754 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_208388 |
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Ki | 76000±n/a nM |
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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 Lett13:107-10 (2002) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Thymidine phosphorylase |
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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: | MAALMTPGTGAPPAPGDFSGEGSQGLPDPSPEPKQLPELIRMKRDGGRLSEADIRGFVAA
VVNGSAQGAQIGAMLMAIRLRGMDLEETSVLTQALAQSGQQLEWPEAWRQQLVDKHSTGG
VGDKVSLVLAPALAACGCKVPMISGRGLGHTGGTLDKLESIPGFNVIQSPEQMQVLLDQA
GCCIVGQSEQLVPADGILYAARDVTATVDSLPLITASILSKKLVEGLSALVVDVKFGGAA
VFPNQEQARELAKTLVGVGASLGLRVAAALTAMDKPLGRCVGHALEVEEALLCMDGAGPP
DLRDLVTTLGGALLWLSGHAGTQAQGAARVAAALDDGSALGRFERMLAAQGVDPGLARAL
CSGSPAERRQLLPRAREQEELLAPADGTVELVRALPLALVLHELGAGRSRAGEPLRLGVG
AELLVDVGQRLRRGTPWLRVHRDGPALSGPQSRALQEALVLSDRAPFAAPSPFAELVLPP
QQ
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BDBM50121754 |
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n/a |
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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 |
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