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Target
Capsid protein
Ligand
BDBM50247812
Substrate
n/a
Meas. Tech.
ChEMBL_1743342 (CHEMBL4177852)
EC50
87±n/a nM
Citation
 Ren, Q; Liu, X; Luo, Z; Li, J; Wang, C; Goldmann, S; Zhang, J; Zhang, Y Discovery of hepatitis B virus capsid assembly inhibitors leading to a heteroaryldihydropyrimidine based clinical candidate (GLS4). Bioorg Med Chem 25:1042-1056 (2017) [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:
BDBM50247812
Synonyms:
CHEMBL3742114
Type:
Small organic molecule
Emp. Form.:
C21H22BrFN4O3S
Mol. Mass.:
509.392
SMILES:
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,16|
Structure:
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