PDB ligand accession: PI9
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: FBNSKSOTNMECSA-FLBADVGZSA-N
SMILES: CC(C)CCN(CC(C1Cc2ccc(cc2)OCCCCCC(=O)NC(C(=O)N1)C(C)C)O)S(=O)(=O)c3ccc(cc3)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Macrolactams
- Subclass: None
- Class: Macrolactams
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1D4L | Download | Experimental | e1d4lB1 e1d4lA1 | cradle loop barrel cradle loop barrel | LigPlot |