PDB ligand accession: 1XJ
DrugBank: DB12340
InChI Key: JLYAXFNOILIKPP-KXQOOQHDSA-N
SMILES: CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)NC(CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C
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 |
|---|---|---|---|---|
| Q92843 | Download | Predicted | Q92843_F1_nD1 | Toxins' membrane translocation domains |
| 1MK3 | Predicted | e1mk3A1 | ||
| 1O0L | Predicted | e1o0lA2 | ||
| 1ZY3 | Predicted | e1zy3A1 | ||
| 2Y6W | Predicted | e2y6wA1 e2y6wB1 | ||
| 4CIM | Predicted | e4cimA1 e4cimB1 |