PDB ligand accession: 7SD
DrugBank: n/a
PubChem: n/a
ChEMBL:
InChI Key: OINOKQVNBGAIMA-UHFFFAOYSA-N
SMILES: Cc1cc(nc(c1CNC(=O)c2cnn(c2)Cc3ccc(cc3)Cn4cccn4)C)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6O1S | Download | Experimental | e6o1sE1 | cradle loop barrel | LigPlot |
6O1G | Download | Experimental | e6o1gA2 | cradle loop barrel | LigPlot |