Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50023900 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_209474 (CHEMBL809254) |
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IC50 | 55000±n/a nM |
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Citation | Brixner, DI; Ueda, T; Cheng, YC; Hynes, JB; Broom, AD Folate analogues as inhibitors of thymidylate synthase. J Med Chem30:675-8 (1987) [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 |
Synonyms: | TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase |
Type: | Enzyme |
Mol. Mass.: | 35718.07 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 313 |
Sequence: | MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFG
MQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDS
LGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMC
AWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHI
TGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEG
YNPHPTIKMEMAV
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BDBM50023900 |
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n/a |
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Name | BDBM50023900 |
Synonyms: | 2-{4-[(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid(8-deazafolate) | CHEMBL161265 |
Type | Small organic molecule |
Emp. Form. | C20H20N6O6 |
Mol. Mass. | 440.4094 |
SMILES | Nc1nc2ccc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 |
Structure |
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