Reaction Details Report a problem with these data
Target
Polymerase acidic protein [1-204,T86I,G186S]
Ligand
BDBM50027331
Substrate
n/a
IC50
1.00e+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
More Info.:
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:
BDBM50027331
Synonyms:
1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol | 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide (JW8-5) | CHEMBL19068 | norlaudanosoline
Type:
Small organic molecule
Emp. Form.:
C16H17NO4
Mol. Mass.:
287.3105
SMILES:
Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O