| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50251173 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_530826 (CHEMBL969381) |
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| Ki | 21000±n/a nM |
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| Citation |  Corona, P; Loriga, M; Costi, MP; Ferrari, S; Paglietti, G Synthesis of N-(5,7-diamino-3-phenyl-quinoxalin-2-yl)-3,4,5-substituted anilines and N-[4[(5,7-diamino-3-phenylquinoxalin-2-yl)amino]benzoyl]-l-glutamic acid diethyl ester: evaluation of in vitro anti-cancer and anti-folate activities. Eur J Med Chem43:189-203 (2008) [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 |
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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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| BDBM50251173 |
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| n/a |
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| Name | BDBM50251173 |
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| Synonyms: | 2-[(3,4,5-Trimethoxy-phenyl)amino]-3-phenyl-5,7-dinitro-quinoxaline | CHEMBL514589 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H19N5O7 |
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| Mol. Mass. | 477.4263 |
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| SMILES | COc1cc(Nc2nc3cc(cc([N+]([O-])=O)c3nc2-c2ccccc2)[N+]([O-])=O)cc(OC)c1OC |
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| Structure | 
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