Attributes
UniProt ID
Protein Name
Toll-like receptor 8
Ligand Name
O-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (S)-phosphorothioate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
PRHQISJBVGJFKN-VXGQQCRQSA-N
SMILES
c1nc2c(n1C3C(C(C(O3)COP(=O)(OC4C(OC(C4O)N5C=CC(=O)NC5=O)COP(=O)(O)S)S)OP(=O)(O)S)O)NC(=NC2=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4R09
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Color Legend
Unassigned regionsLigand / hetero atomse4r09A1e4r09A2e4r09B1e4r09B2e4r09C1e4r09C2e4r09D1e4r09D2
ECOD domains from experimental PDB structures interacting with ligand 06S
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q9NR97 | n/a | 06S | 4r09 | e4r09A1 | A:31-433 |
| Q9NR97 | n/a | 06S | 4r09 | e4r09A2 | A:458-819 |
| Q9NR97 | n/a | 06S | 4r09 | e4r09B1 | B:31-432 |
| Q9NR97 | n/a | 06S | 4r09 | e4r09B2 | B:458-819 |
| Q9NR97 | n/a | 06S | 4r09 | e4r09C1 | C:31-432 |
| Q9NR97 | n/a | 06S | 4r09 | e4r09C2 | C:458-817 |
| Q9NR97 | n/a | 06S | 4r09 | e4r09D1 | D:31-433 |
| Q9NR97 | n/a | 06S | 4r09 | e4r09D2 | D:458-816 |