| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50014514 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_209796 |
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| IC50 | 74.0±n/a nM |
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| Citation |  Marsham, PR; Jackman, AL; Oldfield, J; Hughes, LR; Thornton, TJ; Bisset, GM; O'Connor, BM; Bishop, JA; Calvert, AH Quinazoline antifolate thymidylate synthase inhibitors: benzoyl ring modifications in the C2-methyl series. J Med Chem33:3072-8 (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 |
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| Synonyms: | TS | TSase | TYSY_MOUSE | Tyms |
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| Type: | PROTEIN |
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| Mol. Mass.: | 34957.15 |
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| Organism: | Mus musculus |
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| Description: | ChEMBL_1340097 |
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| Residue: | 307 |
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| Sequence: | MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYS
LRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSAR
QEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKD
LPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPG
DFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPT
IKMEMAV
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| BDBM50014514 |
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| n/a |
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| Name | BDBM50014514 |
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| Synonyms: | (S)-2-(2-chloro-4-(((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzamido)pentanedioic acid | 2-{2-Chloro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL323375 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H23ClN4O6 |
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| Mol. Mass. | 510.926 |
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| SMILES | Cc1nc2ccc(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(Cl)c3)cc2c(=O)[nH]1 |
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| Structure | 
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