PDB ligand accession: 380
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: BMQMRSICTKGCCO-JOCHJYFZSA-N
SMILES: COc1ccc(cc1OC)C(C(=O)NCc2ccccc2)Nc3ccc(cc3)C(=N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1W2K | Download | Experimental | e1w2kH1 | cradle loop barrel | LigPlot |