PDB ligand accession: DOL
DrugBank: DB01764
PubChem:
ChEMBL:
InChI Key: SUYRLXYYZQTJHF-VMBLUXKRSA-N
SMILES: CCN(CC)CCS(=O)(=O)C1CCN2C1C(=O)OC(C(C=CC(=O)NCC=CC(=CC(CC(=O)Cc3nc(co3)C2=O)O)C)C)C(C)C
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Macrolide lactams
- Subclass: None
- Class: Macrolide lactams
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1MRL | Download | Experimental | e1mrlA1 e1mrlB1 e1mrlC1 e1mrlB1 e1mrlC1 e1mrlA1 | Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix | LigPlot |