PDB ligand accession: KLN
DrugBank: DB05667
InChI Key: XMAYWYJOQHXEEK-ZEQKJWHPSA-N
SMILES: CC(=O)N1CCN(CC1)c2ccc(cc2)OCC3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P05108 | Download | Predicted | P05108_F1_nD1 | Cytochrome P450 |
3N9Y | Predicted | e3n9yA1 e3n9yB1 | ||
3N9Z | Predicted | e3n9zA1 e3n9zB1 | ||
3NA0 | Predicted | e3na0A1 e3na0B1 | ||
3NA1 | Predicted | e3na1A1 e3na1B1 |