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 |
---|---|---|---|---|
P19099 | Download | Predicted | P19099_F1_nD1 | Cytochrome P450 |
4DVQ | Predicted | e4dvqE1 e4dvqC1 e4dvqK1 e4dvqG1 e4dvqI1 e4dvqH1 e4dvqD1 e4dvqB1 e4dvqF1 e4dvqJ1 e4dvqA1 e4dvqL1 | ||
4FDH | Predicted | e4fdhA1 e4fdhH1 e4fdhD1 e4fdhF1 e4fdhC1 e4fdhK1 e4fdhI1 e4fdhE1 e4fdhG1 e4fdhB1 e4fdhJ1 e4fdhL1 | ||
4ZGX | Predicted | e4zgxE1 e4zgxL1 e4zgxA1 e4zgxB1 e4zgxC1 e4zgxD1 e4zgxF1 e4zgxG1 e4zgxH1 e4zgxI1 e4zgxJ1 e4zgxK1 |