Reaction Details Report a problem with these data
Target
Capsid protein
Ligand
BDBM400105
Substrate
n/a
Meas. Tech.
HBV DNA Quantification Assay
EC50
199±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:
BDBM400105
Synonyms:
6-methyl-7-(2-((2-methyl-1-(methylamino)-1-oxopropan-2-yl)amino)-2-oxoacetyl)-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-pyrrolizine-5-carboxamide | US10328053, Compound 83 | US10874640, Compound 83 | US20230270719, Compound 83
Type:
Small organic molecule
Emp. Form.:
C22H23F3N4O4
Mol. Mass.:
464.4376
SMILES:
CNC(=O)C(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)n2CCCc12