| Reaction Details |
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| Report a problem with these data |
| Target | Thymidylate Synthase (TS) |
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| Ligand | GA9 |
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| Substrate/Competitor | 5,10-Methylenetetrahydrofolate |
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| Meas. Tech. | Thymidylate Synthase (TS) Assay |
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| pH | 7.4±n/a |
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| Temperature | 293.15±n/a K |
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| Ki | 28000±n/a nM |
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| Citation |  Finer-Moore, JS; Anderson, AC; O'Neil, RH; Costi, MP; Ferrari, S; Krucinski, J; Stroud, RM The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition.Acta Crystallogr D Biol Crystallogr.61:1320-34(2005)[PubMed] |
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| More Info. |
Get all data from this article
, Inhibition_Run data
, Solution Info
, Assay Method
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| Thymidylate Synthase (TS) |
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| Name | Thymidylate Synthase (TS) |
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| Synonyms | EC 2.1.1.45 | TSase |
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| Type | Enzyme |
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| Mol. Mass. | 34362 |
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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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| GA9 |
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| Name | GA9 |
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| Synonyms: | 4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5(13),6,8,10-pentaen-2-one |
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| Type | Small organic molecule |
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| Emp. Form. | C24H13Br2ClO4 |
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| Mol. Mass. | 560.619 |
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| SMILES | Oc1ccc(cc1Br)C1(OC(=O)c2ccc(Cl)c3cccc1c23)c1ccc(O)c(Br)c1 |
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| Structure | |
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| 5,10-Methylenetetrahydrofolate |
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| Name | 5,10-Methylenetetrahydrofolate |
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| Synonyms: | (2S)-2-[(4-{11-amino-13-oxo-2,4,8,10,12-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),11-dien-4-yl}phenyl)formamido]pentanedioate | 5,10-Methylene-THF |
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| Type | Small organic molecule |
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| Emp. Form. | C20H21N7O6 |
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| Mol. Mass. | 455.424 |
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| SMILES | Nc1nc(=O)c2N3CN(CC3CNc2[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O |
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| Structure | |
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