| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM50291797 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_53000 (CHEMBL858265) |
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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: | DYR_PNECA | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase |
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| Type: | Enzyme |
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| Mol. Mass.: | 23891.29 |
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| Organism: | Pneumocystis carinii |
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| Description: | n/a |
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| Residue: | 206 |
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| Sequence: | MNQQKSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRK
TWESIPLQFRPLKGRINVVITRNESLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRI
FVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKEWSSVWKKEKHSDLESW
VGTKVPHGKINEDGFDYEFEMWTRDL
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| BDBM50291797 |
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| n/a |
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| Name | BDBM50291797 |
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| Synonyms: | 6,6-Dimethyl-1-{3-[2-(3-trifluoromethyl-phenoxy)-ethoxy]-phenyl}-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL20628 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22F3N5O2 |
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| Mol. Mass. | 421.4162 |
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| SMILES | CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2cccc(c2)C(F)(F)F)c1 |t:3,6| |
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| Structure | 
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