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TargetThymidylate synthase/GAR transformylase/AICAR transformylase
LigandBDBM50028109
Substrate/Competitorn/a
Meas. Tech.ChEMBL_209774
Ki 120000±n/a nM
Citation Srinivasan AAmarnath VBroom ADZou FCCheng YC A potent multisubstrate analogue inhibitor of human thymidylate synthetase. J Med Chem 27:1710-7 (1985) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Thymidylate synthase/GAR transformylase/AICAR transformylase
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:
BDBM50028109
n/a
NameBDBM50028109
Synonyms:2-{4-[(2-Amino-5-{1-[4-hydroxy-5-(hydroxy-methoxy-phosphoryloxymethyl)-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 | CHEMBL3144213 | CID44292651 | thvmidvlate svnthase inhibitor 2c
TypeSmall organic molecule
Emp. Form.C31H39N8O14P
Mol. Mass.778.6603
SMILESCOP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(CN2C(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CCc3nc(N)[nH]c(=O)c23)c(=O)[nH]c1=O |r|
Structure
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