PDB ligand accession: YH5
DrugBank: n/a
PubChem: 4282260;135515794;
ChEMBL:
InChI Key: SQNJCPSJSYBCFC-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbonyl compounds
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4M5J | Download | Experimental | e4m5jA1 | Alpha-beta plaits | LigPlot |