PDB ligand accession: PSB
DrugBank: DB03231
PubChem: 448408;5289211;135403817;
ChEMBL:
InChI Key: IXDQOBDHBWEZOH-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)CNC(=O)c2cccc(c2)n3nc4c(n3)nc(nc4O)N)Sc5ccccc5CO
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1RSD | Download | Experimental | e1rsdA1 | T-fold | LigPlot |