PDB ligand accession: XC9
DrugBank: DB00878
PubChem: 2713;5353524;5360566;9552079;88536661;
ChEMBL:
InChI Key: GHXZTYHSJHQHIJ-UHFFFAOYSA-N
SMILES: c1cc(ccc1NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(cc2)Cl)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Halobenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
8F4A | Download | Experimental | e8f4aA1 e8f4aA3 | Sterol carrier protein-like Nat/Ivy | LigPlot |