PDB ligand accession: 336
DrugBank: DB06448
PubChem:
ChEMBL:
InChI Key: DHMTURDWPRKSOA-RUZDIDTESA-N
SMILES: c1c(cc(c2c1CCc3cc(cnc3C2C4CCN(CC4)C(=O)CC5CCN(CC5)C(=O)N)Br)Br)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzocycloheptapyridines
- Subclass: None
- Class: Benzocycloheptapyridines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1O5M | Download | Experimental | e1o5mB1 e1o5mA1 | Repetitive alpha hairpins Repetitive alpha hairpins | LigPlot |