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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dihydrofolate reductase | ||
| Ligand | BDBM50438444 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_975943 (CHEMBL2415592) | ||
| IC50 | 30±n/a nM | ||
| Citation |  Hassan, GS; El-Messery, SM; Al-Omary, FA; Al-Rashood, ST; Shabayek, MI; Abulfadl, YS; Habib, el-SE; El-Hallouty, SM; Fayad, W; Mohamed, KM; El-Menshawi, BS; El-Subbagh, HI Nonclassical antifolates, part 4. 5-(2-aminothiazol-4-yl)-4-phenyl-4H-1,2,4-triazole-3-thiols as a new class of DHFR inhibitors: synthesis, biological evaluation and molecular modeling study. Eur J Med Chem66:135-45 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Dihydrofolate reductase | |||
| Name: | Dihydrofolate reductase | ||
| Synonyms: | DHFR | DYR_BOVIN | Dihydrofolate reductase | Dihydrofolate reductase (DHFR) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 21603.71 | ||
| Organism: | Bos taurus (Cattle) | ||
| Description: | P00376 | ||
| Residue: | 187 | ||
| Sequence: |
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| BDBM50438444 | |||
| n/a | |||
| Name | BDBM50438444 | ||
| Synonyms: | CHEMBL2414370 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H18N6O2S3 | ||
| Mol. Mass. | 470.591 | ||
| SMILES | COc1ccc(c(OC)c1)-n1c(n[nH]c1=S)-c1csc(NC(=S)Nc2ccccc2)n1 |(37.8,-11.38,;39.13,-12.15,;40.47,-11.38,;41.8,-12.15,;43.14,-11.38,;43.13,-9.83,;41.8,-9.07,;41.79,-7.53,;40.46,-6.76,;40.47,-9.84,;44.46,-9.06,;45.92,-9.55,;46.84,-8.31,;45.94,-7.06,;44.47,-7.53,;43.23,-6.61,;46.37,-11.02,;45.45,-12.25,;46.34,-13.51,;47.81,-13.05,;49.14,-13.82,;50.48,-13.05,;50.48,-11.52,;51.81,-13.83,;53.14,-13.06,;54.47,-13.84,;55.81,-13.08,;55.81,-11.54,;54.47,-10.76,;53.14,-11.53,;47.82,-11.51,)| | ||
| Structure | 
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