PDB ligand accession: 50K
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VXVYXKAPTSJLCT-UHFFFAOYSA-N
SMILES: c1cc(nc(c1)C2(CCCCC2)O)c3cc4cc(ccc4[nH]3)C(=N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5CE1 | Download | Experimental | e5ce1A2 | cradle loop barrel | LigPlot |