PDB ligand accession: 393
DrugBank: DB07030
PubChem:
ChEMBL:
InChI Key: VABIMMIJVWNHFI-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2PDU | Download | Experimental | e2pduA1 | TIM beta/alpha-barrel | LigPlot |
2PZN | Download | Experimental | e2pznA1 | TIM beta/alpha-barrel | LigPlot |
2IKJ | Download | Experimental | e2ikjA1 | TIM beta/alpha-barrel | LigPlot |
2PDC | Download | Experimental | e2pdcA1 | TIM beta/alpha-barrel | LigPlot |
3MC5 | Download | Experimental | e3mc5A1 | TIM beta/alpha-barrel | LigPlot |
3M64 | Download | Experimental | e3m64A1 | TIM beta/alpha-barrel | LigPlot |
2PDJ | Download | Experimental | e2pdjA1 | TIM beta/alpha-barrel | LigPlot |
2PDP | Download | Experimental | e2pdpA1 | TIM beta/alpha-barrel | LigPlot |