| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50028110 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_209774 (CHEMBL815564) |
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| Ki | 150000±n/a nM |
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| Citation |  Srinivasan, A; Amarnath, V; Broom, AD; Zou, FC; Cheng, YC A potent multisubstrate analogue inhibitor of human thymidylate synthetase. J Med Chem27:1710-7 (1985) [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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| BDBM50028110 |
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| n/a |
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| Name | BDBM50028110 |
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| Synonyms: | 2-[4-({2-Amino-5-[1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl]-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl}-amino)-benzoylamino]-pentanedioic acid | CHEMBL3144214 | CID44292781 | thvmidvlate svnthase inhibitor 2a |
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| Type | Small organic molecule |
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| Emp. Form. | C30H36N8O11 |
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| Mol. Mass. | 684.6538 |
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| SMILES | Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)N(Cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)[nH]c3=O)c2c(=O)[nH]1 |r| |
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| Structure | 
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