| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM50058420 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_54934 |
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| IC50 | 9000000000±n/a nM |
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| Citation |  Denny, BJ; Ringan, NS; Schwalbe, CH; Lambert, PA; Meek, MA; Griffin, RJ; Stevens, MF Structural studies on bio-active compounds. 20. Molecular modeling and crystallographic studies on methylbenzoprim, a potent inhibitor of dihydrofolate reductase. J Med Chem35:2315-20 (1992) [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; P. carinii vs rat |
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| Synonyms: | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase |
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| Type: | Enzyme |
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| Mol. Mass.: | 21638.84 |
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| Organism: | Rattus norvegicus (rat) |
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| Description: | n/a |
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| Residue: | 187 |
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| Sequence: | MVRPLNCIVAVSQNMGIGKNGDLPWPLLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFS
IPEKNRPLKDRINIVLSRELKEPPQGAHFLAKSLDDALKLIEQPELASKVDMVWVVGGSS
VYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLEKYKLLPEYPGVLSEIQEEKGIKYKF
EVYEKKD
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| BDBM50058420 |
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| Name | BDBM50058420 |
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| Synonyms: | (methylbenzoprim, MBP) 5-[4-(Benzyl-methyl-amino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine | 5-[4-(Benzyl-methyl-amino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine | CHEMBL56170 | cid_72438 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22N6O2 |
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| Mol. Mass. | 378.4277 |
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| SMILES | CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccccc2)c(c1)[N+]([O-])=O |
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| Structure |  |
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| n/a |
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