| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM50128535 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_53964 (CHEMBL669450) |
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| IC50 | 1200±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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| BDBM50128535 |
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| n/a |
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| Name | BDBM50128535 |
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| Synonyms: | 5-(4-Methoxy-9-methyl-6,9-dihydro-7H-[1,3]dioxolo[4,5-h]isoquinolin-8-ylmethyl)-pyrimidine-2,4-diamine | CHEMBL310468 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H21N5O3 |
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| Mol. Mass. | 343.3803 |
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| SMILES | COc1cc2CCN(Cc3cnc(N)nc3N)[C@H](C)c2c2OCOc12 |
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| Structure | 
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