| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM50128538 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_53156 (CHEMBL665665) |
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| IC50 | 6±n/a nM |
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| Citation |  Wyss, PC; Gerber, P; Hartman, PG; Hubschwerlen, C; Locher, H; Marty, HP; Stahl, M Novel dihydrofolate reductase inhibitors. Structure-based versus diversity-based library design and high-throughput synthesis and screening. J Med Chem46:2304-12 (2003) [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 |
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| Synonyms: | DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase |
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| Type: | Enzyme |
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| Mol. Mass.: | 21453.99 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Recombinant human DHFR. |
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| Residue: | 187 |
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| Sequence: | MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFS
IPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSS
VYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKF
EVYEKND
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| BDBM50128538 |
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| n/a |
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| Name | BDBM50128538 |
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| Synonyms: | 5-[7-Methoxy-4-(3-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-2-ylmethyl]-pyrimidine-2,4-diamine | CHEMBL78104 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H22N6O3 |
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| Mol. Mass. | 406.4378 |
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| SMILES | COc1ccc2C(CN(Cc3cnc(N)nc3N)Cc2c1)c1cccc(c1)[N+]([O-])=O |
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| Structure | 
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