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TargetThymidylate synthase
LigandBDBM50022736
Substrate/Competitorn/a
Meas. Tech.ChEBML_210335
IC50 200±n/a nM
Citation Yang IYSlusher RMBroom ADUeda TCheng YC A pyrimidine-based"flexible" bisubstrate analogue inhibitor of human thymidylate synthase. J Med Chem 31:2126-32 (1988) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Thymidylate synthase
Name:Thymidylate synthase/GAR transformylase/AICAR transformylase
Synonyms:TS | TSase | Thymidylate synthase (TS)
Type:Enzyme
Mol. Mass.:35718.07
Organism:Homo sapiens (Human)
Description:n/a
Residue:313
Sequence:
MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFG
MQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDS
LGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMC
AWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHI
TGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEG
YNPHPTIKMEMAV
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  Blast E-value cutoff:
BDBM50022736
n/a
NameBDBM50022736
Synonyms:2-[4-({2-Amino-5-[1-(4-hydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl]-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl}-amino)-benzoylamino]-pentanedioic acid | 2-{[4-({[2-amino-4-hydroxy-5-({1-[(2R,4R,5R)-4-hydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}methyl)-5H,6H,7H,8H-pyrido[3,2-d]pyrimidin-6-yl]methyl}amino)phenyl]formamido}pentanedioate | CHEMBL2368783 | thvmidvlate svnthase inhibitor 2
TypeSmall organic molecule
Emp. Form.C30H37N8O14P
Mol. Mass.764.6337
SMILESNc1nc(O)c2N(Cc3cn([C@H]4C[C@H](O)[C@@H](COP(O)(O)=O)O4)c(=O)[nH]c3=O)C(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CCc2n1 |r|
Structure
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