| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50046665 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_219325 (CHEMBL823518) |
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| Ki | 1.31±n/a nM |
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| Citation |  Webber, SE; Bleckman, TM; Attard, J; Deal, JG; Kathardekar, V; Welsh, KM; Webber, S; Janson, CA; Matthews, DA; Smith, WW Design of thymidylate synthase inhibitors using protein crystal structures: the synthesis and biological evaluation of a novel class of 5-substituted quinazolinones. J Med Chem36:733-46 (1993) [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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| BDBM50046665 |
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| n/a |
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| Name | BDBM50046665 |
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| Synonyms: | 2-[4-(2,6-Dimethyl-4-oxo-3,4-dihydro-quinazolin-5-ylsulfanyl)-benzoylamino]-pentanedioic acid | CHEMBL166369 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H21N3O6S |
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| Mol. Mass. | 455.484 |
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| SMILES | Cc1nc2ccc(C)c(Sc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |
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| Structure | 
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