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Target
Capsid protein
Ligand
BDBM50573986
Substrate
n/a
Meas. Tech.
ChEMBL_2121504 (CHEMBL4830651)
EC50
4830±n/a nM
Citation
 Ma, Y; Zhao, S; Ren, Y; Cherukupalli, S; Li, Q; Woodson, ME; Bradley, DP; Tavis, JE; Liu, X; Zhan, P Design, synthesis and evaluation of heteroaryldihydropyrimidine analogues bearing spiro ring as hepatitis B virus capsid protein inhibitors. Eur J Med Chem 225:0 (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:
BDBM50573986
Synonyms:
CHEMBL4857897
Type:
Small organic molecule
Emp. Form.:
C29H35BrFN5O4S
Mol. Mass.:
648.587
SMILES:
CCOC(=O)C1=C(CN2CCC3(CCN(C3)C(=O)OC(C)(C)C)C2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,27|
Structure:
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