| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50041179 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_209119 (CHEMBL812568) |
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| IC50 | >200000±n/a nM |
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| Citation |  Gangjee, A; Devraj, R; McGuire, JJ; Kisliuk, RL; Queener, SF; Barrows, LR Classical and nonclassical furo[2,3-d]pyrimidines as novel antifolates: synthesis and biological activities. J Med Chem37:1169-76 (1994) [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: | TSase | TYSY_LACCA | Thymidylate Synthase (TS) | Thymidylate synthase | thyA |
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| Type: | Enzyme |
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| Mol. Mass.: | 36576.54 |
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| Organism: | Lactobacillus casei |
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| Description: | n/a |
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| Residue: | 316 |
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| Sequence: | MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSE
LLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHE
EMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRL
IVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLV
AHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIK
LLNYDPYPAIKAPVAV
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|
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| BDBM50041179 |
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| n/a |
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| Name | BDBM50041179 |
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| Synonyms: | 2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL17383 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H20N6O6 |
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| Mol. Mass. | 428.3987 |
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| SMILES | Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)coc2n1 |
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| Structure | 
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