Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM50057314 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_52850 (CHEMBL664374) |
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IC50 | 44±n/a nM |
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Citation | Gangjee, A; Mavandadi, F; Queener, SF Effect of N9-methylation and bridge atom variation on the activity of 5-substituted 2,4-diaminopyrrolo[2,3-d]pyrimidines against dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii. J Med Chem40:1173-7 (1997) [PubMed] Article |
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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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BDBM50057314 |
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n/a |
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Name | BDBM50057314 |
Synonyms: | 2-({4-[(2,4-Diamino-7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)-methyl-amino]-benzoyl}-methyl-amino)-pentanedioic acid | CHEMBL17287 |
Type | Small organic molecule |
Emp. Form. | C21H25N7O5 |
Mol. Mass. | 455.4671 |
SMILES | CN(Cc1c[nH]c2nc(N)nc(N)c12)c1ccc(cc1)C(=O)N(C)C(CCC(O)=O)C(O)=O |
Structure |
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