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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Thymidylate synthase | ||
| Ligand | BDBM50003896 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_210167 | ||
| IC50 | >1000000±n/a nM | ||
| Citation |  Taylor, EC; Harrington, PJ; Fletcher, SR; Beardsley, GP; Moran, RG Synthesis of the antileukemic agents 5,10-dideazaaminopterin and 5,10-dideaza-5,6,7,8-tetrahydroaminopterin. J Med Chem28:914-21 (1985) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Thymidylate synthase | |||
| Name: | Thymidylate synthase | ||
| Synonyms: | TSase | TYSY_LACCA | Thymidylate Synthase (TS) | Thymidylate synthase | thyA | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 36576.54 | ||
| Organism: | Lactobacillus casei | ||
| Description: | n/a | ||
| Residue: | 316 | ||
| Sequence: |
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| BDBM50003896 | |||
| n/a | |||
| Name | BDBM50003896 | ||
| Synonyms: | (DDATHF) 5,10-Dideazatetrahydrofolic acid2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | 2-{(S)-4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | 2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid | 2-{4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | 2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | CHEMBL170101 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H25N5O6 | ||
| Mol. Mass. | 443.4531 | ||
| SMILES | Nc1nc2NCC(CCc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1 | ||
| Structure | 
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