PDB ligand accession: A9T
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: LKKIDFQBVDANKO-UHFFFAOYSA-N
SMILES: c1cc(ccc1CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5ccc(cc5n4)C(=O)N)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzimidazoles
- Subclass: Phenylbenzimidazoles
- Class: Benzimidazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4A9T | Download | Experimental | e4a9tA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |