| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50330849 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_685622 (CHEMBL1285400) |
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| Ki | 10000±n/a nM |
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| Citation |  Carosati, E; Sforna, G; Pippi, M; Marverti, G; Ligabue, A; Guerrieri, D; Piras, S; Guaitoli, G; Luciani, R; Costi, MP; Cruciani, G Ligand-based virtual screening and ADME-tox guided approach to identify triazolo-quinoxalines as folate cycle inhibitors. Bioorg Med Chem18:7773-85 (2010) [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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| BDBM50330849 |
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| n/a |
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| Name | BDBM50330849 |
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| Synonyms: | 4-chloro-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline | CHEMBL1275878 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H9ClN4 |
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| Mol. Mass. | 280.712 |
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| SMILES | Clc1nc2ccccc2n2c(nnc12)-c1ccccc1 |
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| Structure | 
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