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Target
Polymerase basic protein 2
Ligand
BDBM50507230
Substrate
n/a
Meas. Tech.
ChEMBL_1829449 (CHEMBL4329323)
EC50
0.200000±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:
BDBM50507230
Synonyms:
CHEMBL4472219
Type:
Small organic molecule
Emp. Form.:
C21H21FN6O2S
Mol. Mass.:
440.494
SMILES:
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2CCSc12)-c1n[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(37.95,-18.53,;39.29,-19.29,;40.62,-18.51,;39.3,-20.84,;40.65,-21.6,;40.66,-23.15,;39.32,-23.93,;37.99,-23.17,;38.75,-21.88,;39.87,-22.78,;37.98,-21.62,;36.65,-20.87,;35.34,-21.64,;35.82,-23.09,;34.8,-24.23,;33.29,-23.93,;32.81,-22.48,;31.4,-21.85,;31.56,-20.32,;33.07,-20,;33.84,-21.33,;35.28,-25.69,;34.38,-26.94,;35.29,-28.19,;36.76,-27.7,;38.1,-28.47,;39.43,-27.7,;39.43,-26.15,;40.76,-25.37,;38.09,-25.38,;36.75,-26.16,)|
Structure:
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