PDB ligand accession: 1YP
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VIHKUWHFUWMXKJ-UHFFFAOYSA-N
SMILES: CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C3=NNC(=O)O3)c4nc(cs4)C(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Bipyridines and oligopyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4LPB | Download | Experimental | e4lpbA1 | ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like | LigPlot |