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TargetThymidylate Synthase (TS)
LigandBDBM50008294
Substrate/Competitorn/a
Meas. Tech.ChEMBL_209135
Ki 95±n/a nM
Citation Costi PMRinaldi MTondi DPecorari PBarlocco DGhelli SStroud RMSanti DVStout TJMusiu CMarangiu EMPani ACongiu DLoi GALa Colla P Phthalein derivatives as a new tool for selectivity in thymidylate synthase inhibition. J Med Chem 42:2112-24 (1999) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Thymidylate Synthase (TS)
Name:Thymidylate Synthase (TS)
Synonyms:TS | TSase
Type:Enzyme
Mol. Mass.:30475.81
Organism:Escherichia coli
Description:n/a
Residue:264
Sequence:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
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BDBM50008294
n/a
NameBDBM50008294
Synonyms:2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid | 2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid (PDDF) | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid(N10-propargyl-5,8-dideazafolate, PDDF) | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid(PDDF) | CHEMBL422395 | PDDF
TypeSmall organic molecule
Emp. Form.C24H23N5O6
Mol. Mass.477.4693
SMILESNc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Structure
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