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. | ChEMBL_53000 (CHEMBL858265) |
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Ki | 3.24±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 |
Synonyms: | DYR_PNECA | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase |
Type: | Enzyme |
Mol. Mass.: | 23891.29 |
Organism: | Pneumocystis carinii |
Description: | n/a |
Residue: | 206 |
Sequence: | MNQQKSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRK
TWESIPLQFRPLKGRINVVITRNESLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRI
FVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKEWSSVWKKEKHSDLESW
VGTKVPHGKINEDGFDYEFEMWTRDL
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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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