Reaction Details |
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Target | Neuraminidase |
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Ligand | BDBM4994 |
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Substrate/Competitor | BDBM4702 |
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Meas. Tech. | Neuraminidase Inhibition Assay |
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IC50 | 3±n/a nM |
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Citation | Kim, CU; Lew, W; Williams, MA; Wu, H; Zhang, L; Chen, X; Escarpe, PA; Mendel, DB; Laver, WG; Stevens, RC Structure-activity relationship studies of novel carbocyclic influenza neuraminidase inhibitors. J Med Chem41:2451-60 (1998) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, Assay Method |
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Neuraminidase |
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Name: | Neuraminidase |
Synonyms: | Influenza B Virus Neuraminidase | NA | NRAM_INBLE | Neuraminidase | Neuraminidase B |
Type: | Enzyme |
Mol. Mass.: | 51446.67 |
Organism: | Influenza B virus (B/Lee/40) |
Description: | n/a |
Residue: | 466 |
Sequence: | MLPSTVQTLTLLLTSGGVLLSLYVSASLSYLLYSDVLLKFSSTKTTAPTMSLECTNASNA
QTVNHSATKEMTFPPPEPEWTYPRLSCQGSTFQKALLISPHRFGEIKGNSAPLIIREPFV
ACGPKECRHFALTHYAAQPGGYYNGTRKDRNKLRHLVSVKLGKIPTVENSIFHMAAWSGS
ACHDGREWTYIGVDGPDNDALVKIKYGEAYTDTYHSYAHNILRTQESACNCIGGDCYLMI
TDGSASGISKCRFLKIREGRIIKEILPTGRVEHTEECTCGFASNKTIECACRDNSYTAKR
PFVKLNVETDTAEIRLMCTKTYLDTPRPDDGSIAGPCESNGDKWLGGIKGGFVHQRMASK
IGRWYSRTMSKTNRMGMELYVKYDGDPWTDSDALTLSGVMVSIEEPGWYSFGFEIKDKKC
DVPCIGIEMVHDGGKDTWHSAATAIYCLMGSGQLLWDTVTGVDMAL
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BDBM4994 |
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BDBM4702 |
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Name | BDBM4994 |
Synonyms: | (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | CHEMBL674 | GS4071 | Oseltamivir carboxylate |
Type | Small organic molecule |
Emp. Form. | C14H24N2O4 |
Mol. Mass. | 284.3514 |
SMILES | CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| |
Structure |
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