| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM18069 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_710363 (CHEMBL1653324) |
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| IC50 | 77000±n/a nM |
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| Citation |  Bourne, CR; Bunce, RA; Bourne, PC; Berlin, KD; Barrow, EW; Barrow, WW Crystal structure of Bacillus anthracis dihydrofolate reductase with the dihydrophthalazine-based trimethoprim derivative RAB1 provides a structural explanation of potency and selectivity. Antimicrob Agents Chemother53:3065-73 (2009) [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: | Dihydrofolate Reductase (DHFR) | baDHFR |
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| Type: | Enzyme |
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| Mol. Mass.: | 19120.62 |
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| Organism: | Bacillus anthracis |
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| Description: | baDHFR was expressed in E. coli BL21, and purified to homogeneity. |
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| Residue: | 162 |
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| Sequence: | MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRN
IIVTRNEGYHVEGCEVAHSVEEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHA
FEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEKQQ
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| BDBM18069 |
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| n/a |
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| Name | BDBM18069 |
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| Synonyms: | 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine | CHEMBL22 | TMP | Trimethoprim | Trimethoprim (TMP) | US10870625, Compound TMP |
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| Type | Small organic molecule |
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| Emp. Form. | C14H18N4O3 |
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| Mol. Mass. | 290.3177 |
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| SMILES | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |
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| Structure | 
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