| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50037322 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_209959 (CHEMBL820615) |
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| IC50 | 49±n/a nM |
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| Citation |  Bisset, GM; Bavetsias, V; Thornton, TJ; Pawelczak, K; Calvert, AH; Hughes, LR; Jackman, AL The synthesis and thymidylate synthase inhibitory activity of L-gamma-L-linked dipeptide and L-gamma-amide analogues of 2-desamino-2-methyl-N10-propargyl-5,8-dideazafolic acid (ICI 198583). J Med Chem37:3294-302 (1994) [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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| BDBM50037322 |
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| n/a |
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| Name | BDBM50037322 |
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| Synonyms: | (R)-4-((R)-1-Carboxy-ethylcarbamoyl)-2-{4-[ethyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-butyric acid | CHEMBL323659 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H31N5O7 |
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| Mol. Mass. | 537.5643 |
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| SMILES | CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@H](CCC(=O)N[C@H](C)C(O)=O)C(O)=O |
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| Structure | 
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