PDB ligand accession: XTA
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: AZEJIKZNBHEXCM-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2ncc(cn2)Oc3cc(cc(n3)c4cc(cc(c4)Cl)Cl)CN5CCC(CC5)CC(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7LCU | Download | Experimental | e7lcuA2 | Subtilisin-like | LigPlot |