| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50022737 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_210332 (CHEMBL814751) |
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| IC50 | 1000±n/a nM |
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| Citation |  Yang, IY; Slusher, RM; Broom, AD; Ueda, T; Cheng, YC A pyrimidine-based"flexible" bisubstrate analogue inhibitor of human thymidylate synthase. J Med Chem31:2126-32 (1988) [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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| BDBM50022737 |
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| n/a |
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| Name | BDBM50022737 |
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| Synonyms: | 2-{4-[(2-{(2-Amino-4-methyl-6-oxo-1,6-dihydro-pyrimidin-5-yl)-[1-(4-hydroxy-5-phosphonooxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl]-amino}-ethyl)-methyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL2368784 | thvmidvlate svnthase inhibitor 3b |
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| Type | Small organic molecule |
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| Emp. Form. | C30H39N8O14P |
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| Mol. Mass. | 766.6496 |
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| SMILES | CN(CCN(Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O)c1c(C)nc(N)nc1O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |r| |
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| Structure | 
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