| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50017762 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_210133 (CHEMBL812502) |
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| Ki | 750±n/a nM |
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| Citation |  Broom, AD Rational design of enzyme inhibitors: multisubstrate analogue inhibitors. J Med Chem32:2-7 (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 | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 35718.07 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 313 |
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| Sequence: | MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFG
MQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDS
LGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMC
AWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHI
TGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEG
YNPHPTIKMEMAV
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| BDBM50017762 |
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| n/a |
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| Name | BDBM50017762 |
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| Synonyms: | 2-(4-{[2-Amino-5-(2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl)-4-oxo-3,4,5,6,7,8-hexahydro-pteridin-6-ylmethyl]-methyl-amino}-benzoylamino)-pentanedioic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C25H27N9O8 |
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| Mol. Mass. | 581.5385 |
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| SMILES | CN(CC1CNc2nc(N)[nH]c(=O)c2N1Cc1c[nH]c(=O)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC([O-])=O)C([O-])=O |
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| Structure | 
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