Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM50291778 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_55071 |
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Ki | 245±n/a nM |
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Citation | Hansch, C; Hathaway, BA; Guo, ZR; Selassie, CD; Dietrich, SW; Blaney, JM; Langridge, R; Volz, KW; Kaufman, BT Crystallography, quantitative structure-activity relationships, and molecular graphics in a comparative analysis of the inhibition of dihydrofolate reductase from chicken liver and Lactobacillus casei by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(substituted-phenyl)-s-triazine s. J Med Chem27:129-43 (1984) [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 |
Synonyms: | DYR_LACCA | dhfR | folA |
Type: | PROTEIN |
Mol. Mass.: | 18437.08 |
Organism: | Lactobacillus casei |
Description: | ChEMBL_1357878 |
Residue: | 163 |
Sequence: | MTAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTN
VVLTHQEDYQAQGAVVVHDVAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLA
GSFEGDTKMIPLNWDDFTKVSSRTVEDTNPALTHTYEVWQKKA
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BDBM50291778 |
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n/a |
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Name | BDBM50291778 |
Synonyms: | CHEMBL20812 | N-{3-[3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzyloxy]-phenyl}-acetamide |
Type | Small organic molecule |
Emp. Form. | C20H24N6O2 |
Mol. Mass. | 380.4436 |
SMILES | CC(=O)Nc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:20,23| |
Structure |
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