| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50017874 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_209958 |
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| IC50 | 1120±n/a nM |
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| Citation |  Jones, TR; Thornton, TJ; Flinn, A; Jackman, AL; Newell, DR; Calvert, AH Quinazoline antifolates inhibiting thymidylate synthase: 2-desamino derivatives with enhanced solubility and potency. J Med Chem32:847-52 (1989) [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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| BDBM50017874 |
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| n/a |
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| Name | BDBM50017874 |
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| Synonyms: | 2-{4-[Allyl-(4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL423270 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H24N4O6 |
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| Mol. Mass. | 464.4706 |
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| SMILES | OC(=O)CCC(NC(=O)c1ccc(cc1)N(CC=C)Cc1ccc2nc[nH]c(=O)c2c1)C(O)=O |
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| Structure | 
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