Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50014488 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_209971 |
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IC50 | 480±n/a nM |
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Citation | Hughes, LR; Jackman, AL; Oldfield, J; Smith, RC; Burrows, KD; Marsham, PR; Bishop, JA; Jones, TR; O'Connor, BM; Calvert, AH Quinazoline antifolate thymidylate synthase inhibitors: alkyl, substituted alkyl, and aryl substituents in the C2 position. J Med Chem33:3060-7 (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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BDBM50014488 |
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n/a |
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Name | BDBM50014488 |
Synonyms: | (S)-2-(4-(((2-(acetamidomethyl)-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid | 2-(4-{[2-(Acetylamino-methyl)-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl]-prop-2-ynyl-amino}-benzoylamino)-pentanedioic acid | CHEMBL105726 |
Type | Small organic molecule |
Emp. Form. | C27H27N5O7 |
Mol. Mass. | 533.5326 |
SMILES | CC(=O)NCc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |
Structure |
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