Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM18251 |
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Substrate/Competitor | BDBM18044 |
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Meas. Tech. | Dihydrofolate Reductase (DHFR) Assay |
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IC50 | 4020±n/a nM |
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Citation | Gangjee, A; Zeng, Y; Talreja, T; McGuire, JJ; Kisliuk, RL; Queener, SF Design and Synthesis of Classical and Nonclassical 6-Arylthio-2,4-diamino-5-ethylpyrrolo[2,3-d]pyrimidines as Antifolates. J Med Chem50:3046-3053 (2007) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, 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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BDBM18251 |
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BDBM18044 |
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Name | BDBM18251 |
Synonyms: | 6-[(3-chlorophenyl)sulfanyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | Pyrrolo[2, 3-d]pyrimidine analogue, 7 |
Type | Small organic molecule |
Emp. Form. | C14H14ClN5S |
Mol. Mass. | 319.812 |
SMILES | CCc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12 |
Structure |
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