Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM20676 |
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Substrate/Competitor | BDBM18044 |
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IC50 | 120±n/a nM |
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Citation | Gangjee, A; Li, W; Yang, J; Kisliuk, RL Design, synthesis, and biological evaluation of classical and nonclassical 2-amino-4-oxo-5-substituted-6-methylpyrrolo[3,2-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. J Med Chem51:68-76 (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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BDBM20676 |
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BDBM18044 |
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Name | BDBM20676 |
Synonyms: | (2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)phenyl]formamido}pentanedioic acid | Pyrrolo[3,2-d]pyrimidine analogue, 4 |
Type | Small organic molecule |
Emp. Form. | C20H21N5O6 |
Mol. Mass. | 427.4106 |
SMILES | Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| |
Structure |
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