| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM50090054 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_52999 (CHEMBL664430) |
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| Ki | 22.39±n/a nM |
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| Citation |  Marlowe, CK; Selassie, CD; Santi, DV Quantitative structure-activity relationships of the inhibition of Pneumocystis carinii dihydrofolate reductase by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(X-phenyl)-s-triazines. J Med Chem38:967-72 (1995) [PubMed] |
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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: | Bacterial dihydrofolate reductase | DYR_ECOLI | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase | folA | tmrA |
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| Type: | Enzyme |
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| Mol. Mass.: | 17991.61 |
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| Organism: | Escherichia coli |
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| Description: | E. coli DHFR was expressed in BL21, and purified to homogeneity. |
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| Residue: | 159 |
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| Sequence: | MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNI
ILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
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| BDBM50090054 |
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| n/a |
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| Name | BDBM50090054 |
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| Synonyms: | 1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | 1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL7130 |
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| Type | Small organic molecule |
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| Emp. Form. | C11H14ClN5 |
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| Mol. Mass. | 251.715 |
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| SMILES | CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:3,6| |
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| Structure | 
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