| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM50022235 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_54904 |
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| IC50 | 2900±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 |
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| Synonyms: | DYR_LACCA | dhfR | folA |
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| Type: | PROTEIN |
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| Mol. Mass.: | 18437.08 |
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| Organism: | Lactobacillus casei |
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| Description: | ChEMBL_1357878 |
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| Residue: | 163 |
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| Sequence: | MTAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTN
VVLTHQEDYQAQGAVVVHDVAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLA
GSFEGDTKMIPLNWDDFTKVSSRTVEDTNPALTHTYEVWQKKA
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| BDBM50022235 |
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| n/a |
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| Name | BDBM50022235 |
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| Synonyms: | 4-(4-{4-[4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-ethynyl-amino]-benzoylamino}-4-carboxy-butyrylamino)-4-carboxy-butyrylamino]-4-carboxy-butyrylamino}-4-carboxy-butyrylamino)-4-carboxy-butyric acid anion | CID44294491 | PDDP-G5 |
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| Type | Small organic molecule |
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| Emp. Form. | C43H48N9O18 |
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| Mol. Mass. | 978.8913 |
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| SMILES | Nc1nc2ccc(CN(C#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC([O-])=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)cc2c(=O)[nH]1 |
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| Structure | 
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