PDB ligand accession: 5TA
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: DALBYXAUBIFWAM-QFIPXVFZSA-N
SMILES: c1cc(cc(c1)OCC2CN(C(=O)O2)c3cccc(c3)C#Cc4cccnc4Cl)CN
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylmethylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5F03 | Download | Experimental | e5f03A1 e5f03B1 | cradle loop barrel cradle loop barrel | LigPlot |