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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase | ||
| Ligand | BDBM50203231 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1624960 (CHEMBL3867372) | ||
| IC50 | 910±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 | ||
| Bifunctional dihydrofolate reductase-thymidylate synthase | |||
| Name: | Bifunctional dihydrofolate reductase-thymidylate synthase | ||
| Synonyms: | DHFR-TS | DRTS_TOXGO | Dihydrofolate reductase | Dihydrofolate reductase (DHFR) | Dihydrofolate reductase; T. gondii vs rat | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 68757.49 | ||
| Organism: | Toxoplasma gondii | ||
| Description: | Q07422 | ||
| Residue: | 610 | ||
| Sequence: |
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| BDBM50203231 | |||
| n/a | |||
| Name | BDBM50203231 | ||
| Synonyms: | CHEMBL3910843 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C15H15N5 | ||
| Mol. Mass. | 265.3131 | ||
| SMILES | Nc1nc(N)c(-c2c[nH]c3ccccc23)c(n1)C1CC1 |(17.99,-35.31,;19.33,-36.08,;20.66,-35.31,;21.99,-36.08,;23.33,-35.31,;21.99,-37.62,;23.33,-38.39,;23.5,-39.92,;25,-40.23,;25.77,-38.91,;27.27,-38.58,;27.75,-37.12,;26.72,-35.98,;25.21,-36.3,;24.74,-37.76,;20.66,-38.39,;19.33,-37.62,;20.66,-39.93,;21.43,-41.26,;19.89,-41.26,)| | ||
| Structure | 
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