PDB ligand accession: 5UJ
DrugBank: n/a
PubChem: 112499943;135567115;
ChEMBL:
InChI Key: RLRGPZGIQMEBLC-UHFFFAOYSA-N
SMILES: c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: Phenylpiperidines
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5F3I | Download | Experimental | e5f3iA1 e5f3iB1 e5f3iC1 e5f3iD1 | jelly-roll jelly-roll jelly-roll jelly-roll | LigPlot |