| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM18050 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_208758 (CHEMBL812312) |
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| IC50 | 1800±n/a nM |
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| Citation |  Gangjee, A; Vidwans, A; Elzein, E; McGuire, JJ; Queener, SF; Kisliuk, RL Synthesis, antifolate, and antitumor activities of classical and nonclassical 2-amino-4-oxo-5-substituted-pyrrolo[2,3-d]pyrimidines. J Med Chem44:1993-2003 (2001) [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 | Thymidylate Synthase (TS) | Thymidylate synthase | thyA |
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| Type: | n/a |
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| Mol. Mass.: | 30487.86 |
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| Organism: | Escherichia coli |
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| Description: | n/a |
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| Residue: | 264 |
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| Sequence: | MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
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|
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| BDBM18050 |
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| n/a |
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| Name | BDBM18050 |
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| Synonyms: | 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid | CHEMBL34259 | MTX | Methotrexate | cid_126941 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22N8O5 |
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| Mol. Mass. | 454.4393 |
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| SMILES | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| |
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| Structure | 
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