PDB ligand accession: KR4
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: WKMVCRJLJVVRHA-UHFFFAOYSA-N
SMILES: CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6NJI | Download | Experimental | e6njiA1 e6njiB1 | PDEase-like PDEase-like | LigPlot |