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Target
Polymerase basic protein 2
Ligand
BDBM50507245
Substrate
n/a
Meas. Tech.
ChEMBL_1829449 (CHEMBL4329323)
EC50
0.500000±n/a nM
Citation
 Xiong, J; Wang, J; Hu, G; Zhao, W; Li, J Design, synthesis and biological evaluation of novel, orally bioavailable pyrimidine-fused heterocycles as influenza PB2 inhibitors. Eur J Med Chem 162:249-265 (2019) [PubMed]  Article 
Target
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:
MERIKELRNLMSQSRTREILTKTTVDHMAIIKKYTSGRQEKNPALRMKWMMAMKYPITADKRITEMIPERNEQGQTLWSKMNDAGSDRVMVSPLAVTWWNRNGPITNTVHYPKIYKTYFERVERLKHGTFGPVHFRNQVKIRRRVDINPGHADLSAKEAQDVIMEVVFPNEVGARILTSESQLTITKEKKEELQDCKISPLMVAYMLERELVRKTRFLPVAGGTSSVYIEVLHLTQGTCWEQMYTPGGEVRNDDVDQSLIIAARNIVRRAAVSADPLASLLEMCHSTQIGGIRMVDILRQNPTEEQAVDICKAAMGLRISSSFSFGGFTFKRTSGSSVKREEEVLTGNLQTLKIRVHEGYEEFTMVGRRATAILRKATRRLIQLIVSGRDEQSIAEAIIVAMVFSQEDCMIKAVRGDLNFVNRANQRLNPMHQLLRHFQKDAKVLFQNWGVEPIDNVMGMIGILPDMTPSIEMSMRGVRISKMGVDEYSSTERVVVSIDRFLRIRDQRGNVLLSPEEVSETQGTEKLTITYSSSMMWEINGPESVLVNTYQWIIRNWETVKIQWSQNPTMLYNKMEFEPFQSLVPKAIRGQYSGFVRTLFQQMRDVLGTFDTAQIIKLLPFAAAPPKQSRMQFSSFTVNVRGSGMRILVRGNSPVFNYNKATKRLTVLGKDAGTLTEDPDEGTAGVESAVLRGFLILGKEDKRYGPALSINELSNLAKGEKANVLIGQGDVVLVMKRKRDSSILTDSQTATKRIRMAIN
  
Inhibitor
Name:
BDBM50507245
Synonyms:
CHEMBL4466462
Type:
Small organic molecule
Emp. Form.:
C22H20FN5O2S
Mol. Mass.:
437.49
SMILES:
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2ccsc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(65.82,-30.1,;67.16,-30.86,;68.49,-30.08,;67.17,-32.4,;68.52,-33.17,;68.53,-34.72,;67.19,-35.5,;65.86,-34.74,;66.62,-33.44,;67.74,-34.35,;65.85,-33.19,;64.52,-32.44,;63.21,-33.21,;63.69,-34.66,;62.67,-35.8,;61.16,-35.5,;60.68,-34.05,;59.27,-33.42,;59.43,-31.89,;60.94,-31.57,;61.71,-32.9,;63.15,-37.25,;62.25,-38.51,;63.16,-39.76,;64.63,-39.27,;65.97,-40.04,;67.3,-39.27,;67.3,-37.72,;68.63,-36.94,;65.96,-36.95,;64.62,-37.73,)|
Structure:
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