| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50004395 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_209812 |
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| IC50 | 64±n/a nM |
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| Citation |  Warner, P; Barker, AJ; Jackman, AL; Burrows, KD; Roberts, N; Bishop, JA; O'Connor, BM; Hughes, LR Quinoline antifolate thymidylate synthase inhibitors: variation of the C2- and C4-substituents. J Med Chem35:2761-8 (1992) [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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| BDBM50004395 |
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| n/a |
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| Name | BDBM50004395 |
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| Synonyms: | 2-{4-[(2,4-Dichloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate | CHEMBL92014 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H21Cl2N3O5 |
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| Mol. Mass. | 514.357 |
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| SMILES | OC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)Cc1ccc2nc(Cl)cc(Cl)c2c1)C(O)=O |
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| Structure | 
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