PDB ligand accession: G39
DrugBank: DB02600
PubChem: 449381;44310478;
ChEMBL:
InChI Key: NENPYTRHICXVCS-YNEHKIRRSA-N
SMILES: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O
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 |
---|---|---|---|---|---|
2HU0 | Download | Experimental | e2hu0B1 | beta-propeller-like | LigPlot |
3CL2 | Download | Experimental | e3cl2A1 e3cl2B1 e3cl2C1 e3cl2D1 e3cl2E1 e3cl2F1 e3cl2G1 e3cl2H1 | beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like | LigPlot |
3CL0 | Download | Experimental | e3cl0A1 | beta-propeller-like | LigPlot |
2HU4 | Download | Experimental | e2hu4A1 e2hu4B1 e2hu4C1 e2hu4D1 e2hu4E1 e2hu4F1 e2hu4G1 e2hu4H1 | beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like | LigPlot |