| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM50335530 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_723694 (CHEMBL1677364) |
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| Ki | 0.9±n/a nM |
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| Citation |  Bourne, CR; Barrow, EW; Bunce, RA; Bourne, PC; Berlin, KD; Barrow, WW Inhibition of antibiotic-resistant Staphylococcus aureus by the broad-spectrum dihydrofolate reductase inhibitor RAB1. Antimicrob Agents Chemother54:3825-33 (2010) [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: | DYR_STAAU | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase (DfrB) | Tetrahydrofolate dehydrogenase | folA |
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| Type: | Enzyme |
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| Mol. Mass.: | 18249.71 |
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| Organism: | Staphylococcus aureus |
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| Description: | n/a |
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| Residue: | 159 |
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| Sequence: | MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRN
VVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRG
DTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
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| BDBM50335530 |
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| n/a |
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| Name | BDBM50335530 |
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| Synonyms: | (S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-propylphthalazin-2(1H)-yl)prop-2-en-1-one | (S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-propylphthalazin-2(1H)-yl)prop-2-en-1-one | 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine | CHEMBL1235617 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H30N6O3 |
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| Mol. Mass. | 486.5655 |
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| SMILES | CCC[C@@H]1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |r,c:5| |
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| Structure | 
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