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Target
Capsid protein
Ligand
BDBM50001103
Substrate
n/a
Meas. Tech.
ChEMBL_1743345 (CHEMBL4177855)
EC50
83±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:
BDBM50001103
Synonyms:
(2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic acid | (PMEA)[2-(6-Amino-purin-9-yl)-ethoxymethyl]-phosphonic acid | 9-(2-(phosphonomethoxy)ethyl)adenine | 9-[(2-phosphonylmethoxy)ethyl]adenine | 9-[2-(phosphonomethoxy)ethyl]adenine | 9-[2-phosphonomethoxyethyl]adenine | 9-[3-(Phosphonomethoxy)ethyl]adenine (PMEA) | ADEFOVIR | CHEMBL484 | GS-0393 | US10071110, Compound Adefovir | [2-(6-Amino-purin-9-yl)-ethoxymethyl]-phosphonic acid | [2-(6-Amino-purin-9-yl)-ethoxymethyl]-phosphonic acid(PMEA) | [2-(6-amino-9H-purin-9-yl)ethoxy]methylphosphonic acid | {[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID
Type:
Small organic molecule
Emp. Form.:
C8H12N5O4P
Mol. Mass.:
273.1857
SMILES:
Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Structure:
Search PDB for entries with ligand similarity: