PDB ligand accession: 6T1
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: AGSYPSPYUHOIIZ-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)c2cc(ccn2)C(=O)NCCCN3CCCC3)OC4CN(C4)CCc5ccc(c(c5)Cl)Cl
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 |
---|---|---|---|---|---|
5KJK | Download | Experimental | e5kjkA1 | beta-clip | LigPlot |