PDB ligand accession: 9W3
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IRRZMAXYIYCORM-HWKANZROSA-N
SMILES: Cc1cc(cc(c1Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C)C=CC#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzonitriles
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7SO3 | Download | Experimental | e7so3A2 e7so3A3 e7so3B1 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
7SO2 | Download | Experimental | e7so2A1 e7so2A4 e7so2B1 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
7SO1 | Download | Experimental | e7so1A2 e7so1A4 e7so1B3 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |