| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50033920 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_209794 (CHEMBL815660) |
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| IC50 | 6±n/a nM |
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| Citation |  Marsham, PR; Jackman, AL; Barker, AJ; Boyle, FT; Pegg, SJ; Wardleworth, JM; Kimbell, R; O'Connor, BM; Calvert, AH; Hughes, LR Quinazoline antifolate thymidylate synthase inhibitors: replacement of glutamic acid in the C2-methyl series. J Med Chem38:994-1004 (1995) [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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| BDBM50033920 |
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| n/a |
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| Name | BDBM50033920 |
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| Synonyms: | (R)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-3-methyl-butyric acid | CHEMBL6715 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H27FN4O4 |
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| Mol. Mass. | 478.5154 |
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| SMILES | CC(C)[C@@H](NC(=O)c1ccc(cc1F)N(CC#C)Cc1cc2c(cc1C)nc(C)[nH]c2=O)C(O)=O |
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| Structure | 
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