PDB ligand accession: GSI
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: JENHCPNBBPPGMN-SFHVURJKSA-N
SMILES: CN(C)Cc1nccn1c2ccc(c(c2)F)N3CCC(C3=O)NS(=O)(=O)CCc4ccc(s4)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Imidazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2VH0 | Download | Experimental | e2vh0A1 | cradle loop barrel | LigPlot |