Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50016801 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1357879 (CHEMBL3285766) |
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IC50 | 19000±n/a nM |
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Citation | Chaykovsky, M; Hirst, M; Lazarus, H; Martinelli, JE Methotrexate analogues. 9. Synthesis and biological properties of some 8-alkyl-7,8-dihydro analogues. J Med Chem20:1323-7 (1977) [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 |
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: | MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSE
LLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHE
EMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRL
IVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLV
AHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIK
LLNYDPYPAIKAPVAV
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BDBM50016801 |
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n/a |
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Name | BDBM50016801 |
Synonyms: | CHEMBL3273849 |
Type | Small organic molecule |
Emp. Form. | C24H32N8O5 |
Mol. Mass. | 512.5615 |
SMILES | CCCCN1CC(CN(C)c2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(N)nc(N)nc12 |r,c:28| |
Structure |
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