PDB ligand accession: IP6
DrugBank: DB07993
PubChem:
ChEMBL:
InChI Key: LPQUIIHPUGDHJK-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N
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 |
---|---|---|---|---|---|
2OHT | Download | Experimental | e2ohtA2 e2ohtA3 | cradle loop barrel cradle loop barrel | LigPlot |