Reaction Details Report a problem with these data
Target
Capsid protein
Ligand
BDBM400062
Substrate
n/a
Meas. Tech.
HBV DNA Quantification Assay
EC50
1.90±n/a nM
Citation
 Du, J; Kaplan, JA; Kirschberg, TA; Kobayashi, T; Lazerwith, SE; Lee, RA; Medley, JW; Mitchell, ML; Morganelli, PA; Pyun, H; Shevick, SL; Squires, NH; Watkins, WJ Substituted pyrrolizine compounds and uses thereof US Patent  US10874640 Publication Date 12/29/2020 
Target
Name:
Capsid protein
Synonyms:
C | CAPSD_HBVCJ | Core antigen | Core protein | HBcAg | p21.5
Type:
Enzyme Catalytic Domain
Mol. Mass.:
21105.01
Organism:
Hepatitis B virus genotype C subtype ayr (isolate Human/Japan/Okamoto/-) (HBV-C)
Description:
n/a
Residue:
183
Sequence:
MDIDPYKEFGASVELLSFLPSDFFPSIRDLLDTASALYREALESPEHCSPHHTALRQAILCWGELMNLATWVGSNLEDPASRELVVSYVNVNMGLKIRQLLWFHISCLTFGRETVLEYLVSFGVWIRTPPAYRPPNAPILSTLPETTVVRRRGRSPRRRTPSPRRRRSQSPRRRRSQSRESQC
  
Inhibitor
Name:
BDBM400062
Synonyms:
(1aR,6aR)-5-(2-((3,3-difluoro-1-(1H-1,2,3-triazol-4-yl)cyclobutyl)amino)-2-oxoacetyl)-4-methyl-N-(3,4,5-trifluorophenyl)-1,1a,6,6a-tetrahydrocyclopropa[b]pyrrolizine-3-carboxamide | US10328053, Compound 40 | US10874640, Compound 40 | US20230270719, Compound 40
Type:
Small organic molecule
Emp. Form.:
C24H19F5N6O3
Mol. Mass.:
534.4381
SMILES:
Cc1c(C(=O)C(=O)NC2(CC(F)(F)C2)c2c[nH]nn2)c2C[C@H]3C[C@H]3n2c1C(=O)Nc1cc(F)c(F)c(F)c1 |r|
Structure:
Search PDB for entries with ligand similarity: