PDB ligand accession: QG8
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: YNPGDSJLNVNNFA-MIYQMFTLSA-N
SMILES: CC(C)(C)C(C(=O)NN(CCCC1(C(CN(C1=O)C2c3ccccc3CC2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccccc6)NC(=O)OC
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 |
---|---|---|---|---|---|
4A6B | Download | Experimental | e4a6bA1 e4a6bB1 | cradle loop barrel cradle loop barrel | LigPlot |