PDB ligand accession: 24X
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: HHFWQMFTPDFWLM-UHFFFAOYSA-N
SMILES: [H]N=C(c1ccc(nc1)NCc2cc(ccc2c3ccc(cc3C(=O)O)C(=O)NCC(C)C)C=C)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2EC9 | Download | Experimental | e2ec9H1 | cradle loop barrel | LigPlot |