PDB ligand accession: CR3
DrugBank: DB03173
PubChem:
ChEMBL:
InChI Key: CFSQPEBVGUSQII-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N
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 |
---|---|---|---|---|---|
1O2H | Download | Experimental | e1o2hA1 | cradle loop barrel | LigPlot |