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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dihydrofolate reductase | ||
| Ligand | BDBM50203229 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1624961 (CHEMBL3867373) | ||
| IC50 | 2800±n/a nM | ||
| Citation |  Welsch, ME; Zhou, J; Gao, Y; Yan, Y; Porter, G; Agnihotri, G; Li, Y; Lu, H; Chen, Z; Thomas, SB Discovery of Potent and Selective Leads against ACS Med Chem Lett7:1124-1129 (2016) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Dihydrofolate reductase | |||
| 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: |
| ||
| BDBM50203229 | |||
| n/a | |||
| Name | BDBM50203229 | ||
| Synonyms: | CHEMBL3980903 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C16H17N5 | ||
| Mol. Mass. | 279.3397 | ||
| SMILES | Cn1cc(-c2c(N)nc(N)nc2C2CC2)c2ccccc12 |(20.64,-30.92,;20.01,-32.33,;18.51,-32.65,;18.34,-34.18,;17.01,-34.95,;17.01,-36.49,;18.34,-37.26,;15.68,-37.26,;14.34,-36.49,;13.01,-37.26,;14.34,-34.95,;15.68,-34.18,;15.68,-32.64,;16.45,-31.31,;14.91,-31.31,;19.75,-34.81,;20.22,-36.27,;21.74,-36.6,;22.76,-35.45,;22.29,-33.98,;20.78,-33.67,)| | ||
| Structure | 
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