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Target
Polymerase basic protein 2
Ligand
BDBM50507247
Substrate
n/a
Meas. Tech.
ChEMBL_1829449 (CHEMBL4329323)
EC50
0.400000±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:
BDBM50507247
Synonyms:
CHEMBL4570851
Type:
Small organic molecule
Emp. Form.:
C22H22FN5O2S
Mol. Mass.:
439.506
SMILES:
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2CCSc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(25.29,-44.5,;26.63,-45.27,;27.96,-44.48,;26.64,-46.81,;27.99,-47.58,;28,-49.12,;26.66,-49.9,;25.33,-49.14,;26.09,-47.85,;27.21,-48.75,;25.32,-47.59,;23.99,-46.84,;22.68,-47.62,;23.15,-49.07,;22.13,-50.2,;20.63,-49.91,;20.15,-48.45,;18.74,-47.82,;18.9,-46.29,;20.41,-45.97,;21.18,-47.31,;22.62,-51.66,;21.72,-52.91,;22.63,-54.16,;24.09,-53.68,;25.43,-54.45,;26.77,-53.68,;26.76,-52.12,;28.1,-51.34,;25.43,-51.36,;24.09,-52.13,)|
Structure:
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