PDB ligand accession: IQU
DrugBank: n/a
PubChem: n/a
ChEMBL:
InChI Key: DCVZSHVZGVWQKV-UHFFFAOYSA-N
SMILES: c1cc2cnccc2c(c1)S(=O)(=O)NCCN
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoquinolines and derivatives
- Subclass: None
- Class: Isoquinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2CKE | Download | Experimental | e2ckeA1 e2ckeB1 e2ckeC1 e2ckeC1 e2ckeD1 | 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 |