PDB ligand accession: I33
DrugBank: DB11726
PubChem:
ChEMBL:
InChI Key: SSRDSYXGYPJKRR-ZDUSSCGKSA-N
SMILES: c1cc2cc(sc2c(c1)Cl)C(=O)NC3CN4CCC3CC4
Drug action: partial agonist
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzothiophenes
- Subclass: 1-benzothiophenes
- Class: Benzothiophenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7EKP | Download | Experimental | e7ekpA1 e7ekpB1 e7ekpB1 e7ekpC1 e7ekpC1 e7ekpD2 e7ekpD2 e7ekpE2 e7ekpA1 e7ekpE2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
7EKT | Download | Experimental | e7ektA1 e7ektE2 e7ektA1 e7ektB2 e7ektB2 e7ektC2 e7ektC2 e7ektD1 e7ektD1 e7ektE2 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |