PDB ligand accession: B39
DrugBank: DB11759
PubChem:
ChEMBL:
InChI Key: MPUQHZXIXSTTDU-QXGSTGNESA-N
SMILES: c1ccc2c(c1)CCC2Nc3c4ccn(c4ncn3)C5CC(C(C5)O)COS(=O)(=O)N
Drug action: modulator
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Indanes
- Subclass: None
- Class: Indanes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3GZN | Download | Experimental | e3gznB1 e3gznI1 e3gznB2 e3gznD2 e3gznD1 e3gznJ1 | beta-Grasp beta-Grasp Rossmann-like Rossmann-like beta-Grasp beta-Grasp | LigPlot |