PDB ligand accession: IER
DrugBank: n/a
PubChem: n/a
ChEMBL:
InChI Key: TVXAIWDTRFFVCZ-OOTKOPMESA-N
SMILES: CCOc1cc(nc2c1ccc(c2F)c3c4c(nccn4c(n3)C5CC(C5)(C)O)N)c6ccccc6
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Phenylquinolines
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
8PYI | Download | Experimental | e8pyiAAA1 e8pyiBBB1 e8pyiCCC1 e8pyiDDD1 e8pyiEEE1 e8pyiFFF1 e8pyiGGG1 e8pyiHHH1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |