PDB ligand accession: 3EW
DrugBank: DB11689
InChI Key: CYOHGALHFOKKQC-UHFFFAOYSA-N
SMILES: Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzimidazoles
- Subclass: None
- Class: Benzimidazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P36507 | Download | Predicted | P36507_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
1S9I | Predicted | e1s9iB1 e1s9iA1 |