PDB ligand accession: ESI
DrugBank: DB03136
PubChem:
ChEMBL: n/a
InChI Key: YERQOXAYAFWFEJ-UHFFFAOYSA-O
SMILES: c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I
Drug action: n/a
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 |
---|---|---|---|---|---|
1C5Q | Download | Experimental | e1c5qA1 | cradle loop barrel | LigPlot |
1C5R | Download | Experimental | e1c5rA1 | cradle loop barrel | LigPlot |