PDB ligand accession: IN5
DrugBank: DB03327
PubChem:
ChEMBL: n/a
InChI Key: WHDCJKAOZPBUAY-SSDOTTSWSA-N
SMILES: Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)P(=O)(O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyridoxamines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1BD0 | Download | Experimental | e1bd0A1 e1bd0B1 e1bd0A2 e1bd0A1 e1bd0B1 e1bd0A2 e1bd0B2 | cradle loop barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel cradle loop barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |