PDB ligand accession: O31
DrugBank: DB13879
PubChem:
ChEMBL:
InChI Key: MLSQGNCUYAMAHD-ITNVBOSISA-N
SMILES: CC1(CC1)S(=O)(=O)NC(=O)C2(CC2C(F)F)NC(=O)C3CC4CN3C(=O)C(NC(=O)OC5CCCC5OCC=CC(c6c(nc7ccccc7n6)O4)(F)F)C(C)(C)C
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 |
---|---|---|---|---|---|
6P6S | Download | Experimental | e6p6sA1 | cradle loop barrel | LigPlot |