PDB ligand accession: 1RE
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: VZBHPTCAQDOYJZ-UHFFFAOYSA-N
SMILES: CC(C)CCOc1cc(ccc1C#N)Nc2nc(nc(n2)OCCN3CCOCC3)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenol ethers
- Subclass: None
- Class: Phenol ethers
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4KKO | Download | Experimental | e4kkoB2 e4kkoA5 e4kkoA7 | Alpha-beta plaits Ribonuclease H-like Alpha-beta plaits | LigPlot |