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
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzothiophenes
- Subclass: 1-benzothiophenes
- Class: Benzothiophenes
- Superclass: Organoheterocyclic compounds
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P00749_ESI | P00749 | inhibitor | Ki(nM) = 210.0 |
2 | P00760_ESI | P00760 | n/a | Ki(nM) = 440.0 |
3 | P07477_ESI | P07477 | n/a | |
4 | P00734_ESI | P00734 | inhibitor | Ki(nM) = 20000.0 |