Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM18050 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_710363 (CHEMBL1653324) |
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IC50 | 15.0±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 |
Synonyms: | Dihydrofolate Reductase (DHFR) | baDHFR |
Type: | Enzyme |
Mol. Mass.: | 19120.62 |
Organism: | Bacillus anthracis |
Description: | baDHFR was expressed in E. coli BL21, and purified to homogeneity. |
Residue: | 162 |
Sequence: | MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRN
IIVTRNEGYHVEGCEVAHSVEEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHA
FEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEKQQ
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BDBM18050 |
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n/a |
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Name | BDBM18050 |
Synonyms: | 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid | CHEMBL34259 | MTX | Methotrexate | cid_126941 |
Type | Small organic molecule |
Emp. Form. | C20H22N8O5 |
Mol. Mass. | 454.4393 |
SMILES | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| |
Structure |
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