Structure of PDB 8w9g Chain A Binding Site BS01

Receptor Information
>8w9g Chain A (length=148) Species: 10419 (Hepatitis B virus subtype adyw) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDIDPYKEFGATVELLSFLPSDFFPSVRDLLDTAAALYRDALESPEHCSP
HHTALRQAILCWGDLMTLATWVGTNLEDPASRDLVVSYVNTNVGLKFRQL
LWFHISCLTFGRETVLEYLVSFGVWIRTPPAARPPNAPILSVENLYFQ
Ligand information
Ligand ID5PT
InChIInChI=1S/C21H16F2N2O2/c1-13-5-2-3-8-18(13)25-21(27)17-7-4-6-16(19(17)23)20(26)24-15-11-9-14(22)10-12-15/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeySMISTEYAZXJEGY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccccc1NC(=O)c2cccc(c2F)C(=O)Nc3ccc(cc3)F
CACTVS 3.385Cc1ccccc1NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2F
FormulaC21 H16 F2 N2 O2
Name2-fluoranyl-N1-(4-fluorophenyl)-N3-(2-methylphenyl)benzene-1,3-dicarboxamide
ChEMBL
DrugBank
ZINC
PDB chain8w9g Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8w9g Screening systems for the detection of hepatitis B virus replication and capsid assembly
Resolution2.6 Å
Binding residue
(original residue number in PDB)		P25 L30 T33 W102 Y118 L140
Binding residue
(residue number reindexed from 1)		P25 L30 T33 W102 Y118 L140
Annotation score1
External links
PDB RCSB:8w9g, PDBe:8w9g, PDBj:8w9g
PDBsum8w9g
PubMed
UniProtP03147|CAPSD_HBVD1 Capsid protein (Gene Name=C)

[Back to BioLiP]