Reaction Details Report a problem with these data
Target
Polymerase acidic protein [1-204,T86I,G186S]
Ligand
BDBM105194
Substrate
n/a
Meas. Tech.
Fragment Screening
IC50
2.50e+5±n/a nM
Citation
 Bauman, JD; Patel, D; Baker, SF; Vijayan, RS; Xiang, A; Parhi, AK; Martínez-Sobrido, L; Martínez-Sobrido, EJ; Das, K; Arnold, E Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. ACS Chem Biol 8:2501-8 (2013) [PubMed]  Article 
Target
Name:
Polymerase acidic protein [1-204,T86I,G186S]
Synonyms:
2009 H1N1 Influenza polymerase acidic protein N-terminal endonuclease domain | H1N1 Endonuclease | PA | PA_I80A6
Type:
Protein
Mol. Mass.:
28455.35
Organism:
2009 H1N1 Influenza
Description:
P13166[1-204,T86I,G186S]
Residue:
241
Sequence:
MAHHHHHHSRAWRHPQFGGHHHHHHALEVLFQGPLGSMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMYSDFHFIDERGESIIVESGDPNALLKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRARIKTRLFTIRQEMASRSLWDSFRQSERGEETVEER
  
Inhibitor
Name:
BDBM105194
Synonyms:
methyl 4-(methylsulfanyl)-6-oxo-2-phenyl-1,6-dihydropyrimidine-5-carboxylate
Type:
Small organic molecule
Emp. Form.:
C13H12N2O3S
Mol. Mass.:
276.311
SMILES:
COC(=O)c1c(SC)nc([nH]c1=O)-c1ccccc1
Structure:
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