Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM50022233 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_54904 |
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IC50 | 4600±n/a nM |
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Citation | Nair, MG; Nanavati, NT; Nair, IG; Kisliuk, RL; Gaumont, Y; Hsiao, MC; Kalman, TI Folate analogues. 26. Syntheses and antifolate activity of 10-substituted derivatives of 5,8-dideazafolic acid and of the poly-gamma-glutamyl metabolites of N10-propargyl-5,8-dideazafolic acid (PDDF). J Med Chem29:1754-60 (1986) [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_LACCA | dhfR | folA |
Type: | PROTEIN |
Mol. Mass.: | 18437.08 |
Organism: | Lactobacillus casei |
Description: | ChEMBL_1357878 |
Residue: | 163 |
Sequence: | MTAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTN
VVLTHQEDYQAQGAVVVHDVAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLA
GSFEGDTKMIPLNWDDFTKVSSRTVEDTNPALTHTYEVWQKKA
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BDBM50022233 |
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n/a |
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Name | BDBM50022233 |
Synonyms: | 4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-ethynyl-amino]-benzoylamino}-4-carboxy-butyrylamino)-4-carboxy-butyric acid anion |
Type | Small organic molecule |
Emp. Form. | C28H27N6O9 |
Mol. Mass. | 591.5493 |
SMILES | Nc1nc2ccc(CN(C#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(=O)NC(CCC([O-])=O)C(O)=O)cc2c(=O)[nH]1 |
Structure |
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