| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM50165449 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_304977 (CHEMBL877466) |
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| IC50 | >32000±n/a nM |
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| Citation |  Gangjee, A; Jain, HD; Kisliuk, RL Novel 2-amino-4-oxo-5-arylthio-substituted-pyrrolo[2,3-d]pyrimidines as nonclassical antifolate inhibitors of thymidylate synthase. Bioorg Med Chem Lett15:2225-30 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Dihydrofolate reductase |
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| Name: | Dihydrofolate reductase |
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| Synonyms: | n/a |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 304977 |
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| Components: | This complex has 1 components. |
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| Component 1 |
| Name: | Dihydrofolate reductase |
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| Synonyms: | Bacterial dihydrofolate reductase | DYR_ECOLI | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase | folA | tmrA |
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| Type: | Enzyme |
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| Mol. Mass.: | 17991.61 |
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| Organism: | Escherichia coli |
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| Description: | E. coli DHFR was expressed in BL21, and purified to homogeneity. |
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| Residue: | 159 |
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| Sequence: | MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNI
ILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
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| Component 2 |
| Name: | Dihydrofolate reductase |
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| Synonyms: | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase |
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| Type: | Enzyme |
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| Mol. Mass.: | 19884.75 |
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| Organism: | Mycobacterium avium |
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| Description: | Recombinant Mycobacterium avium DHFR expressed in E. coli. |
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| Residue: | 181 |
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| Sequence: | MTRAEVGLVWAQSTSGVIGRGGDIPWSVPEDLTRFKEVTMGHTVIMGRRTWESLPAKVRP
LPGRRNVVVSRRPDFVAEGARVAGSLEAALAYAGSDPAPWVIGGAQIYLLALPHATRCEV
TEIEIDLRRDDDDALAPALDDSWVGETGEWLASRSGLRYRFHSYRRDPRSSVRGCSPSRP
S
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| BDBM50165449 |
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| n/a |
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| Name | BDBM50165449 |
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| Synonyms: | 2-Amino-5-(3,4-difluoro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one | CHEMBL371913 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H10F2N4OS |
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| Mol. Mass. | 308.307 |
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| SMILES | Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)c(F)c1 |
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| Structure | 
|
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