PDB ligand accession: 1N3
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: XUELBKVSGYWSKD-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4(CC4)CN
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Imidazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3ULI | Download | Experimental | e3uliA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |