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Target
Polymerase basic protein 2
Ligand
BDBM50507237
Substrate
n/a
Meas. Tech.
ChEMBL_1829449 (CHEMBL4329323)
EC50
13±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:
BDBM50507237
Synonyms:
CHEMBL4567152
Type:
Small organic molecule
Emp. Form.:
C22H20FN7O2
Mol. Mass.:
433.4383
SMILES:
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2nccnc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(51.29,-18.03,;52.63,-18.79,;53.97,-18.01,;52.64,-20.34,;53.99,-21.1,;54,-22.65,;52.66,-23.43,;51.33,-22.67,;52.09,-21.38,;53.21,-22.28,;51.32,-21.12,;49.99,-20.37,;48.67,-21.15,;49.15,-22.6,;48.13,-23.74,;46.63,-23.44,;46.15,-21.98,;44.66,-21.66,;44.18,-20.21,;45.2,-19.06,;46.7,-19.38,;47.18,-20.84,;48.62,-25.19,;47.72,-26.45,;48.63,-27.7,;50.09,-27.21,;51.44,-27.98,;52.77,-27.21,;52.77,-25.65,;54.1,-24.88,;51.43,-24.89,;50.09,-25.67,)|
Structure:
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