PDB ligand accession: IET
DrugBank: DB07961
PubChem: 448514;3003217;5482427;5496892;
ChEMBL:
InChI Key: NWKJBFSBEAMDBE-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1)Cl)CC(=N)NC(=S)Nc2ccc(cc2)C#N)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 |
---|---|---|---|---|---|
1S6P | Download | Experimental | e1s6pA5 e1s6pA8 e1s6pB2 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |