Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50024472 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_209107 |
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IC50 | >200000±n/a nM |
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Citation | Nair, MG; Dhawan, R; Ghazala, M; Kalman, TI; Ferone, R; Gaumont, Y; Kisliuk, RL Folate analogues. 30. Synthesis and biological evaluation of N10-propargyl-5,8-dideaza-5,6,7,8-tetrahydrofolic acid and related compounds. J Med Chem30:1256-61 (1987) [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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BDBM50024472 |
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n/a |
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Name | BDBM50024472 |
Synonyms: | 4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylmethyl)-amino]-benzoic acid | CHEMBL441958 |
Type | Small organic molecule |
Emp. Form. | C16H18N4O3 |
Mol. Mass. | 314.3391 |
SMILES | Nc1nc2CCC(CNc3ccc(cc3)C(O)=O)Cc2c(=O)[nH]1 |
Structure |
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