Reaction Details Report a problem with these data
Target
Capsid protein
Ligand
BDBM400025
Substrate
n/a
Meas. Tech.
HBV DNA Quantification Assay
EC50
63.6±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
More Info.:
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:
BDBM400025
Synonyms:
(1aS,6aS)-N-(3-chloro-4-fluorophenyl)-5-(2-((3,3-difluoro-1 (methylcarbamoyl)cyclobutyl)amino)-2-oxoacetyl)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[b]pyrrolizine-3-carboxamide | US10328053, Compound 4 | US10874640, Compound 4 | US20230270719, Compound 4
Type:
Small organic molecule
Emp. Form.:
C24H22ClF3N4O4
Mol. Mass.:
522.904
SMILES:
CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)n2[C@H]3C[C@H]3Cc12 |r|