Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50006689 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_209803 |
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IC50 | 20±n/a nM |
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Citation | Jackman, AL; Marsham, PR; Thornton, TJ; Bishop, JA; O'Connor, BM; Hughes, LR; Calvert, AH; Jones, TR Quinazoline antifolate thymidylate synthase inhibitors: 2'-fluoro-N10-propargyl-5,8-dideazafolic acid and derivatives with modifications in the C2 position. J Med Chem33:3067-71 (1990) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Thymidylate synthase |
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Name: | Thymidylate synthase |
Synonyms: | TS | TSase | TYSY_MOUSE | Tyms |
Type: | PROTEIN |
Mol. Mass.: | 34957.15 |
Organism: | Mus musculus |
Description: | ChEMBL_1340097 |
Residue: | 307 |
Sequence: | MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYS
LRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSAR
QEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKD
LPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPG
DFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPT
IKMEMAV
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BDBM50006689 |
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n/a |
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Name | BDBM50006689 |
Synonyms: | (S)-2-(2-fluoro-4-(((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid | 2-{2-Fluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | 2-{2-Fluoro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ;hydrate | 2-{2-Fluoro-4-[(4-hydroxy-2-methyl-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL169981 |
Type | Small organic molecule |
Emp. Form. | C25H23FN4O6 |
Mol. Mass. | 494.4717 |
SMILES | Cc1nc2ccc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 |
Structure |
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