PDB ligand accession: 3V1
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: LSKVCRHBWSIYNZ-VXPUYCOJSA-N
SMILES: Cc1c(sc(n1)Cl)C(=O)Nc2cccc(c2)Oc3ccc(cc3)NC(=O)C(=C(C4CC4)O)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4RR4 | Download | Experimental | e4rr4A1 | TIM beta/alpha-barrel | LigPlot |