PDB ligand accession: 3EM
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: HWKZGVMRBIGKNW-FUVWEXRVSA-N
SMILES: CCN(CC)c1ccc2c(c1)OC(=O)C=C2COC(=O)NC(C(C)C)C(=O)NC(Cc3ccccc3)CC(C(Cc4ccccc4)NC(=O)OCc5cncs5)O
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 |
---|---|---|---|---|---|
4U7Q | Download | Experimental | e4u7qA1 e4u7qB1 | cradle loop barrel cradle loop barrel | LigPlot |