PDB ligand accession: 45P
DrugBank: DB03571
PubChem: 448407;5287511;135460975;
ChEMBL:
InChI Key: JMQTXEWNXSPEKX-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)NCc4cc(cc(c4)Cl)Cl
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 |
---|---|---|---|---|---|
1RS4 | Download | Experimental | e1rs4A1 | T-fold | LigPlot |