| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM18770 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assay |
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| pH | 7±0 |
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| Temperature | 293.15±0 K |
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| Ki | 2.2e+4±n/a nM |
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| Citation |  Ferrari, S; Costi, PM; Wade, RC Inhibitor specificity via protein dynamics: insights from the design of antibacterial agents targeted against thymidylate synthase. Chem Biol10:1183-93 (2003) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Thymidylate synthase |
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| Name: | Thymidylate synthase |
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| Synonyms: | THYA | TSase | TYSY_PNECA | Thymidylate Synthase (TS) |
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| Type: | Enzyme |
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| Mol. Mass.: | 34362.44 |
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| Organism: | Pneumocystis carinii |
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| Description: | n/a |
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| Residue: | 297 |
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| Sequence: | MVNAEEQQYLNLVQYIINHGEDRPDRTGTGTLSVFAPSPLKFSLRNKTFPLLTTKRVFIR
GVIEELLWFIRGETDSLKLREKNIHIWDANGSREYLDSIGLTKRQEGDLGPIYGFQWRHF
GAEYIDCKTNYIGQGVDQLANIIQKIRTSPYDRRLILSAWNPADLEKMALPPCHMFCQFY
VHIPSNNHRPELSCQLYQRSCDMGLGVPFNIASYALLTCMIAHVCDLDPGDFIHVMGDCH
IYKDHIEALQQQLTRSPRPFPTLSLNRSITDIEDFTLDDFNIQNYHPYETIKMKMSI
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| BDBM18770 |
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| n/a |
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| Name | BDBM18770 |
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| Synonyms: | 1,8-naphthalein derivative, 18 | 8-chloro-4,4-bis(3-fluoro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one | Phenolnaphthalein derivative, 3 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H13ClF2O4 |
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| Mol. Mass. | 438.807 |
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| SMILES | Oc1ccc(cc1F)C1(OC(=O)c2cccc3c(Cl)ccc1c23)c1ccc(O)c(F)c1 |
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| Structure | 
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