Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM18046 |
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Substrate/Competitor | BDBM18044 |
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Meas. Tech. | Enzyme Inhibition Assay |
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pH | 6.4±n/a |
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Temperature | 303.15±n/a K |
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IC50 | 23±n/a nM |
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Citation | Whitlow, M; Howard, AJ; Stewart, D; Hardman, KD; Chan, JH; Baccanari, DP; Tansik, RL; Hong, JS; Kuyper, LF X-Ray crystal structures of Candida albicans dihydrofolate reductase: high resolution ternary complexes in which the dihydronicotinamide moiety of NADPH is displaced by an inhibitor. J Med Chem44:2928-32 (2001) [PubMed] Article |
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More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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Dihydrofolate reductase |
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Name: | Dihydrofolate reductase |
Synonyms: | DFR1 | DYR_CANAX | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase |
Type: | Enzyme |
Mol. Mass.: | 22141.77 |
Organism: | Candida albicans |
Description: | C. albicans DHFR was expressed in E. coli BL21, and purified to homogeneity. |
Residue: | 192 |
Sequence: | MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWE
SIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNE
LINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEG
DFTYNYTLWTRK
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BDBM18046 |
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BDBM18044 |
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Name | BDBM18046 |
Synonyms: | 5-((4-methylphenyl)thio)-quinazoline 2,4-diamine, 1 | 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE | 5-[(4-methylphenyl)sulfanyl]quinazoline-2,4-diamine | 5-[(4-methylphenyl)sulfanyl]quinazoline-2,4-diamine, 2c | CHEMBL83547 | GW578 |
Type | Small organic molecule |
Emp. Form. | C15H14N4S |
Mol. Mass. | 282.363 |
SMILES | Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 |
Structure |
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