Target
Polymerase acidic protein
Ligand
BDBM50122441
Substrate
n/a
Meas. Tech.
ChEMBL_1519446 (CHEMBL3625380)
IC50
>500000±n/a nM
Citation
 Pala, NStevaert, ADallocchio, RDessė, ARogolino, DCarcelli, MSanna, VSechi, MNaesens, L Virtual Screening and Biological Validation of Novel Influenza Virus PA Endonuclease Inhibitors. ACS Med Chem Lett 6:866-71 (2015) [PubMed]  Article 
Target
Name:
Polymerase acidic protein
Synonyms:
PA | PA_I000X | Polymerase acidic protein | RNA-directed RNA polymerase subunit P2
Type:
PROTEIN
Mol. Mass.:
82546.82
Organism:
Influenza A virus (strain A/X-31 H3N2)
Description:
ChEMBL_109885
Residue:
716
Sequence:
MEDFVRQCFNPMIVELAEKTMKEYGEDLKIETNKFAAICTHLEVCFMYSDFHFINEQGESIIVELGDPSALLKHRFEIIEGRDRTMAWTVVNSICNTTGAEKPKFLPDLYDYKENRFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRARIKTRLFTIRQEMASRGLWDSFRQSERGEETIEERFEITGTMRKLADQSLPPNFSSLENFRAYVDGFEPNGYIEGKLSQMSKEVNARIEPFLKTTPRPLRLPNGPPCSQRSKFLLMDALKLSIEDPSHEGEGIPLYDAIKCMRTFFGWKEPNVVKPHEKGINPNYLLSWKQVLAELQDIENEEKIPKTKNMKKTSQLKWALGENMAPEKVDFDDCKDVGDLKQYDSDEPELRSLASWIQNEFNKACELTDSSWIELDEIGEDVAPIEHIASMRRNYFTSEVSHCRATEYIMKGVYINTALLNASCAAMDDFQLIPMISKCRTKEGRRKTNLYGFIIKGRSHLRNDTDVVNFVSMEFSLTDPRLEPHKWEKYCVLEIGDMLIRSAIGQVSRPMFLYVRTNGTSKIKMKWGMEMRRCLLQSLQQIESMIEAESSVKEKDMTKEFFENKSETWPIGESPKGVEESSIGKVCRTLLAKSVFNSLYASPQLEGFSAESRKLLLIVQALRDNLEPGTFDLGGLYEAIEECLINDPWVLLNASWFNSFLTHALS
  
Inhibitor
Name:
BDBM50122441
Synonyms:
CHEMBL3622455
Type:
Small organic molecule
Emp. Form.:
C13H12ClN3O3S
Mol. Mass.:
325.771
SMILES:
OC(=O)CCc1nnc(SCc2ccc(Cl)cc2)nc1O
Structure:
Search PDB for entries with ligand similarity: