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Target
Capsid protein
Ligand
BDBM50586563
Substrate
n/a
Meas. Tech.
ChEMBL_2169046 (CHEMBL5054105)
IC50
12±n/a nM
Citation
 Kuduk, SD; Stoops, B; Lam, AM; Espiritu, C; Vogel, R; Lau, V; Klumpp, K; Flores, OA; Hartman, GD Oxadiazepinone HBV capsid assembly modulators. Bioorg Med Chem Lett 52:0 (2021) [PubMed]  Article 
Target
Name:
Capsid protein
Synonyms:
Core antigen
Type:
PROTEIN
Mol. Mass.:
26278.39
Organism:
Hepatitis B virus
Description:
ChEMBL_450484
Residue:
230
Sequence:
MIFVLGGCRHKLVCSPAPCNFFHLCLIISCSCPTVHASKLCLGWLWGMHIDPYKEFGASVELLSFLPSDFFPSIRDLLDTASALYREALESPEHCSPHHTALRQAILCWGELMNLATWVGSNLEDPASRELVVSYVNVNMGLKIRQLLWFHISCLTFGRETVLEYLVSFGVWIRTPPAYRPPNAPILSTLPETTVVRRRGRSPRRRTPSPRRRRSQSPRRRRSQSRESQC
  
Inhibitor
Name:
BDBM50586563
Synonyms:
CHEMBL4741463
Type:
Small organic molecule
Emp. Form.:
C18H15FN6OS
Mol. Mass.:
382.415
SMILES:
C[C@H]1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1ccc(F)c(c1)C#N |r|
Structure:
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