| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM50035271 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_52836 (CHEMBL884360) |
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| IC50 | 45700±n/a nM |
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| Citation |  Gangjee, A; Mavandadi, F; Queener, SF; McGuire, JJ Novel 2,4-diamino-5-substituted-pyrrolo[2,3-d]pyrimidines as classical and nonclassical antifolate inhibitors of dihydrofolate reductases. J Med Chem38:2158-65 (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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| BDBM50035271 |
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| n/a |
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| Name | BDBM50035271 |
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| Synonyms: | 5-((2,5-dimethoxyphenylamino)methyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | 5-[(2,5-Dimethoxy-phenylamino)-methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | CHEMBL17323 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H18N6O2 |
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| Mol. Mass. | 314.3424 |
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| SMILES | COc1ccc(OC)c(NCc2c[nH]c3nc(N)nc(N)c23)c1 |
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| Structure | 
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