| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM18043 |
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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 | 4±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 |
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| Synonyms: | DFR1 | DYR_CANAX | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase |
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| Type: | Enzyme |
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| Mol. Mass.: | 22141.77 |
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| Organism: | Candida albicans |
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| Description: | C. albicans DHFR was expressed in E. coli BL21, and purified to homogeneity. |
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| Residue: | 192 |
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| Sequence: | MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWE
SIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNE
LINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEG
DFTYNYTLWTRK
|
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| BDBM18043 |
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| BDBM18044 |
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| Name | BDBM18043 |
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| Synonyms: | 1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE | 5-(pentan-3-yl)-5,10,12-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,7,9,11-hexaene-11,13-diamine | CHEMBL318721 | GW345 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H19N5 |
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| Mol. Mass. | 269.3449 |
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| SMILES | CCC(CC)n1ccc2c1ccc1nc(N)nc(N)c21 |
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| Structure | 
|
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