Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM18771 |
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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 | 2.4e+2±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 |
Synonyms: | THYA | TSase | TYSY_PNECA | Thymidylate Synthase (TS) |
Type: | Enzyme |
Mol. Mass.: | 34362.44 |
Organism: | Pneumocystis carinii |
Description: | n/a |
Residue: | 297 |
Sequence: | MVNAEEQQYLNLVQYIINHGEDRPDRTGTGTLSVFAPSPLKFSLRNKTFPLLTTKRVFIR
GVIEELLWFIRGETDSLKLREKNIHIWDANGSREYLDSIGLTKRQEGDLGPIYGFQWRHF
GAEYIDCKTNYIGQGVDQLANIIQKIRTSPYDRRLILSAWNPADLEKMALPPCHMFCQFY
VHIPSNNHRPELSCQLYQRSCDMGLGVPFNIASYALLTCMIAHVCDLDPGDFIHVMGDCH
IYKDHIEALQQQLTRSPRPFPTLSLNRSITDIEDFTLDDFNIQNYHPYETIKMKMSI
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BDBM18771 |
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n/a |
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Name | BDBM18771 |
Synonyms: | (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid | CB3717 | CHEMBL389051 | PDDF |
Type | Small organic molecule |
Emp. Form. | C24H23N5O6 |
Mol. Mass. | 477.4693 |
SMILES | Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r| |
Structure |
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