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TargetThymidylate synthase
LigandBDBM18771
Substrate/Competitorn/a
Meas. Tech.ChEMBL_763105 (CHEMBL1819660)
IC50 48±n/a nM
Citation Zhang, XZhou, XKisliuk, RLPiraino, JCody, VGangjee, A Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. Bioorg Med Chem19:3585-94 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thymidylate synthase
Name:Thymidylate synthase
Synonyms:Thymidylate synthase (EC 2.1.1.45) (TS) (TSase)
Type:PROTEIN
Mol. Mass.:41804.73
Organism:Escherichia coli
Description:ChEMBL_763105
Residue:367
Sequence:
MSLLLNREHTNGQVTNASYAKVIETVLKSGVQADDRTGTGTLSTCYVPSYYMLTGGTVPL
ISGKAVNLKPLLVELEWYLKGTGNIQFLKDNGVKIWDAWADENGDLGPVYGKQWRRWEDT
RIVSHSEYLSKIATFRERGYKVEGYLGISEDRVVLSREIDQLQRIVDTLRTNPTDRRIML
NAWNVGELEDMKLPPCHFVFSLWSRELDFETRLTMATDIGLQHSRLGYESIYTKMLYDLE
MDGSVTEAELDELGIPKRILNSCLVQRSVDTFVGMPFNIAGYGILTHFLAKITGHMAGAF
VHFGFDVHLYNNHMEGVCELMKRQAPEHSDPVVIFPHEWSELDDFKWDEVLILGYDPLPW
IKVPVAV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM18771
n/a
NameBDBM18771
Synonyms:(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid | CB3717 | CHEMBL389051 | PDDF
TypeSmall organic molecule
Emp. Form.C24H23N5O6
Mol. Mass.477.4693
SMILESNc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Structure
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