PDB ligand accession: IQB
DrugBank: DB07995
InChI Key: ZKZXNDJNWUTGDK-NSCUHMNNSA-N
SMILES: c1cc2cnccc2c(c1)S(=O)(=O)NCCNCC=Cc3ccc(cc3)Br
Drug action: inhibitor
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 |
---|---|---|---|---|
P19525 | Download | Predicted | P19525_F1_nD3 P19525_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp dsRBD-like |
1QU6 | Predicted | e1qu6A1 e1qu6A2 | ||
2A19 | Predicted | e2a19B1 e2a19C1 | ||
2A1A | Predicted | e2a1aB1 | ||
3UIU | Predicted | e3uiuA1 e3uiuB2 | ||
6D3K | Predicted | e6d3kA1 e6d3kC1 e6d3kB1 | ||
6D3L | Predicted | e6d3lA1 |