PDB ligand accession: 5RS
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: QHOOZSSNIATKFV-ZCNUFEDYSA-N
SMILES: CCc1c(nc2cc(ccc2n1)OC)OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC4(CC4CC)C(=O)NS(=O)(=O)C5CC5
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 |
---|---|---|---|---|---|
5EQQ | Download | Experimental | e5eqqA1 | cradle loop barrel | LigPlot |
5ETX | Download | Experimental | e5etxA1 e5etxC1 e5etxB1 e5etxD1 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |