Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM50291789 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_53000 (CHEMBL858265) |
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Ki | 12.02±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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BDBM50291789 |
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n/a |
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Name | BDBM50291789 |
Synonyms: | 1-[3-(3-Chloro-phenoxymethyl)-phenyl]-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL417461 | xv1-[3-(3-Chloro-phenoxymethyl)-phenyl]-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine |
Type | Small organic molecule |
Emp. Form. | C18H20ClN5O |
Mol. Mass. | 357.837 |
SMILES | CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(Cl)c2)c1 |t:3,6| |
Structure |
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