| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50014491 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_209971 |
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| IC50 | 580±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 |
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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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| BDBM50014491 |
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| n/a |
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| Name | BDBM50014491 |
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| Synonyms: | 2-{4-[(2-Difluoromethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL102506 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H22F2N4O6 |
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| Mol. Mass. | 512.4622 |
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| SMILES | OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc([nH]c(=O)c2c1)C(F)F)C(O)=O |
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| Structure | 
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