PDB ligand accession: 1BV
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: ZHIQOLBHZJFLCW-QVARATBXSA-N
SMILES: Cc1c(ccc2c1nc(cc2OC3CC4C(=O)NC5(CC5CCC=CCC=CC(C(=O)N4C3)NC(=O)c6ccn(n6)C)C(=O)NS(=O)(=O)C7(CC7)C)OC(C)C)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 |
---|---|---|---|---|---|
4I32 | Download | Experimental | e4i32.4 e4i32.3 | cradle loop barrel cradle loop barrel | LigPlot |
4I33 | Download | Experimental | e4i33.4 e4i33.3 | cradle loop barrel cradle loop barrel | LigPlot |
4I31 | Download | Experimental | e4i31.4 e4i31.3 | cradle loop barrel cradle loop barrel | LigPlot |