| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50040862 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_209643 (CHEMBL811584) |
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| Ki | 4±n/a nM |
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| Citation |  Pendergast, W; Dickerson, SH; Dev, IK; Ferone, R; Duch, DS; Smith, GK Benzo[f]quinazoline inhibitors of thymidylate synthase: methyleneamino-linked aroylglutamate derivatives. J Med Chem37:838-44 (1994) [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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| BDBM50040862 |
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| n/a |
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| Name | BDBM50040862 |
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| Synonyms: | (S)-2-{6-[(3-Methyl-1-oxo-1,2-dihydro-benzo[f]quinazolin-9-ylmethyl)-amino]-3-oxo-3H-benzo[d]isothiazol-2-yl}-pentanedioic acid | CHEMBL167164 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H22N4O6S |
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| Mol. Mass. | 518.541 |
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| SMILES | Cc1nc2ccc3ccc(CNc4ccc5c(c4)sn([C@@H](CCC(O)=O)C(O)=O)c5=O)cc3c2c(=O)[nH]1 |
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| Structure | 
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