| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50149206 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_210162 (CHEMBL813845) |
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| Ki | 330±n/a nM |
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| Citation |  Erlanson, DA; McDowell, RS; O'Brien, T Fragment-based drug discovery. J Med Chem47:3463-82 (2004) [PubMed] Article |
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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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| BDBM50149206 |
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| n/a |
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| Name | BDBM50149206 |
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| Synonyms: | (S)-2-{4-[(R)-2-(2-Carboxy-ethylcarbamoyl)-pyrrolidine-1-sulfonyl]-benzoylamino}-pentanedioic acid | CHEMBL418875 | N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID |
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| Type | Small organic molecule |
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| Emp. Form. | C20H25N3O10S |
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| Mol. Mass. | 499.492 |
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| SMILES | OC(=O)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |
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| Structure | 
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