Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM25826 |
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Substrate/Competitor | BDBM18044 |
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Meas. Tech. | DHFR Inhibition Assay |
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pH | 7±n/a |
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Temperature | 298.15±n/a K |
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IC50 | 1360±26 nM |
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Citation | Bolstad, DB; Bolstad, ES; Frey, KM; Wright, DL; Anderson, AC Structure-based approach to the development of potent and selective inhibitors of dihydrofolate reductase from cryptosporidium. J Med Chem51:6839-52 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Dihydrofolate reductase |
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Name: | Dihydrofolate reductase |
Synonyms: | DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase |
Type: | Enzyme |
Mol. Mass.: | 21453.99 |
Organism: | Homo sapiens (Human) |
Description: | Recombinant human DHFR. |
Residue: | 187 |
Sequence: | MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFS
IPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSS
VYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKF
EVYEKND
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BDBM25826 |
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BDBM18044 |
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Name | BDBM25826 |
Synonyms: | 5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | propargyl-based inhibitor, R-10a |
Type | Small organic molecule |
Emp. Form. | C22H22N4O |
Mol. Mass. | 358.4363 |
SMILES | COc1cc(cc(c1)-c1ccccc1)[C@@H](C)C#Cc1c(C)nc(N)nc1N |r| |
Structure |
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