Reaction Details |
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Target | Polymerase basic protein 2 |
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Ligand | BDBM50586990 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2170293 (CHEMBL5055352) |
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Kd | 110±n/a nM |
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Citation | Xu, L; Zhao, L; Che, J; Zhang, Q; Cao, R; Li, X Identification of novel influenza polymerase PB2 inhibitors using virtual screening approach and molecular dynamics simulation analysis of active compounds. Bioorg Med Chem52:0 (2021) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Polymerase basic protein 2 |
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Name: | Polymerase basic protein 2 |
Synonyms: | PB2 | PB2_I34A1 | Polymerase basic protein 2 | RNA-directed RNA polymerase subunit P3 |
Type: | PROTEIN |
Mol. Mass.: | 86120.80 |
Organism: | Influenza A virus (strain A/Puerto Rico/8/1934 H1N1) |
Description: | ChEMBL_109460 |
Residue: | 759 |
Sequence: | MERIKELRNLMSQSRTREILTKTTVDHMAIIKKYTSGRQEKNPALRMKWMMAMKYPITAD
KRITEMIPERNEQGQTLWSKMNDAGSDRVMVSPLAVTWWNRNGPITNTVHYPKIYKTYFE
RVERLKHGTFGPVHFRNQVKIRRRVDINPGHADLSAKEAQDVIMEVVFPNEVGARILTSE
SQLTITKEKKEELQDCKISPLMVAYMLERELVRKTRFLPVAGGTSSVYIEVLHLTQGTCW
EQMYTPGGEVRNDDVDQSLIIAARNIVRRAAVSADPLASLLEMCHSTQIGGIRMVDILRQ
NPTEEQAVDICKAAMGLRISSSFSFGGFTFKRTSGSSVKREEEVLTGNLQTLKIRVHEGY
EEFTMVGRRATAILRKATRRLIQLIVSGRDEQSIAEAIIVAMVFSQEDCMIKAVRGDLNF
VNRANQRLNPMHQLLRHFQKDAKVLFQNWGVEPIDNVMGMIGILPDMTPSIEMSMRGVRI
SKMGVDEYSSTERVVVSIDRFLRIRDQRGNVLLSPEEVSETQGTEKLTITYSSSMMWEIN
GPESVLVNTYQWIIRNWETVKIQWSQNPTMLYNKMEFEPFQSLVPKAIRGQYSGFVRTLF
QQMRDVLGTFDTAQIIKLLPFAAAPPKQSRMQFSSFTVNVRGSGMRILVRGNSPVFNYNK
ATKRLTVLGKDAGTLTEDPDEGTAGVESAVLRGFLILGKEDKRYGPALSINELSNLAKGE
KANVLIGQGDVVLVMKRKRDSSILTDSQTATKRIRMAIN
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BDBM50586990 |
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n/a |
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Name | BDBM50586990 |
Synonyms: | CHEMBL5091340 |
Type | Small organic molecule |
Emp. Form. | C22H16O5 |
Mol. Mass. | 360.3594 |
SMILES | Cc1c(O[C@H](C(O)=O)c2ccccc2)ccc2c1oc(=O)c1ccccc21 |r| |
Structure |
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