Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50158422 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_430412 (CHEMBL916821) |
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IC50 | 54±n/a nM |
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Citation | Gangjee, A; Jain, HD; McGuire, JJ; Kisliuk, RL Benzoyl ring halogenated classical 2-amino-6-methyl-3,4-dihydro-4-oxo-5-substituted thiobenzoyl-7H-pyrrolo[2,3-d]pyrimidine antifolates as inhibitors of thymidylate synthase and as antitumor agents. J Med Chem47:6730-9 (2004) [PubMed] Article |
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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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BDBM50158422 |
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n/a |
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Name | BDBM50158422 |
Synonyms: | CHEMBL388340 | N-[4-[(2-amino-6-methyl-3,4-dihydro-4-oxo-7H-pyrrolo-[2,3-d]pyrimidin-5-yl)thio]-2'fluorobenzoyl]L-glutamic acid |
Type | Small organic molecule |
Emp. Form. | C19H18FN5O6S |
Mol. Mass. | 463.44 |
SMILES | Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c1 |r| |
Structure |
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