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Target
Polymerase acidic protein
Ligand
BDBM50409780
Substrate
n/a
Meas. Tech.
ChEMBL_220754 (CHEMBL841914)
IC50
29000±n/a nM
Citation
 Parkes, KE; Ermert, P; Fässler, J; Ives, J; Martin, JA; Merrett, JH; Obrecht, D; Williams, G; Klumpp, K Use of a pharmacophore model to discover a new class of influenza endonuclease inhibitors. J Med Chem 46:1153-64 (2003) [PubMed]  Article
Target
Name:
Polymerase acidic protein
Synonyms:
PA | PA_INBLE | RNA-directed RNA polymerase subunit P2
Type:
PROTEIN
Mol. Mass.:
83123.24
Organism:
Influenza B virus (B/Lee/40)
Description:
ChEMBL_220754
Residue:
726
Sequence:
MDTFITKNFQTTIIQKAKNTMAEFSEDPELQPAVLFNICVHLEVCYVISDMNFLDEEGKTYTALEGQGKEQNLRPQYEVIEGMPRNIAWMVQRSLAQEHGIETPRYLADLFDYKTKRFIEVGITKGLADDYFWKKKEKLGNSMELMIFSYNQDYSLSDESSLDEEGKGRVLSRLTELQAELSLKNLWQVLIGEEEIEKGIDFKLGQTISKLRNISVPAGFSNFEGMRSYIDNIDPKGAIERNLARMSPLVSVTPKKLKWEDLRPIGPHIYNHELPEVPYNAFLLMSDELGLANMTEGKSKKPKTLAKECLERYSTLRDQTDPILIMKSEKANENFLWRLWRDCVNTISNEETGNELQKTNYAKWATGDGLTYQKIMKEVAIDDETMYQEEPKIPNKCRVAAWVQAEMNLLSTLTSKRALDLPEIGPDVAPVEHVGSERRKYFVNEINYCKASTVMMKYVLFHTSLLNESNASMGKYKVIPITNRVVNEKGESFDMLYGLAVKGQSHLRGDTDVVTVVTFEFSSTDPRVDSGKWPKYTVFKIGSLFVSGREKPVYLYCRVNGTNKIQMKWGMEARRCLLQSMQQMEAIVDQESSIQGYDMTKACFKGDRVNNPKTFSIGTQEGKLVKGSFGKALRVIFTKCLMHYVFGNAQLEGFSAESRRLLLLIQALKDRKGPWVFDLEGMYFGVEECISNNPWVIQSAYWFNEWLGIEKEGSKVLESIDEIMDE
  
Inhibitor
Name:
BDBM50409780
Synonyms:
CHEMBL16239
Type:
Small organic molecule
Emp. Form.:
C26H18N2O4
Mol. Mass.:
422.4321
SMILES:
Oc1c(C(=O)c2ccccc2)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2n1O
Structure:
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