PDB ligand accession: BAI
DrugBank: DB01767
PubChem:
ChEMBL:
InChI Key: KKJYVDXDZURHMA-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N
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 | LigPlot |
---|---|---|---|---|---|
1C1U | Download | Experimental | e1c1u.1 | cradle loop barrel | LigPlot |