| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM66082 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1703399 (CHEMBL4054632) |
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| Ki | 0.010000±n/a nM |
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| Citation |  Tonelli, M; Naesens, L; Gazzarrini, S; Santucci, M; Cichero, E; Tasso, B; Moroni, A; Costi, MP; Loddo, R Host dihydrofolate reductase (DHFR)-directed cycloguanil analogues endowed with activity against influenza virus and respiratory syncytial virus. Eur J Med Chem135:467-478 (2017) [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 |
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| Synonyms: | DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase |
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| Type: | Enzyme |
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| Mol. Mass.: | 21453.99 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Recombinant human DHFR. |
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| Residue: | 187 |
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| Sequence: | MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFS
IPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSS
VYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKF
EVYEKND
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| BDBM66082 |
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| n/a |
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| Name | BDBM66082 |
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| Synonyms: | (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid;hydrate | (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate | (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid;hydrate | (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid;hydrate | L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- [CAS] | MLS001401431 | SMR000449324 | US11530198, Example Methotrexate | cid_165528 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22N8O5 |
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| Mol. Mass. | 454.4393 |
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| SMILES | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |
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| Structure | 
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