PDB ligand accession: 3II
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: TWOVSEVREOPZGM-UHFFFAOYSA-N
SMILES: COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: N-acylpiperidines
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3II4 | Download | Experimental | e3ii4A1 e3ii4A2 e3ii4A3 e3ii4B4 e3ii4B5 e3ii4B6 | Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |