PDB ligand accession: HBI
DrugBank: DB04400
PubChem: 119055;5288515;135398687;
ChEMBL: n/a
InChI Key: FEMXZDUTFRTWPE-DZSWIPIPSA-N
SMILES: CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pteridines and derivatives
- Subclass: Pterins and derivatives
- Class: Pteridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1WPL | Download | Experimental | e1wplL1 e1wplA1 e1wplB1 e1wplM1 e1wplB1 e1wplC1 e1wplN1 e1wplC1 e1wplD1 e1wplO1 e1wplE1 e1wplD1 e1wplQ1 e1wplF1 e1wplG1 e1wplR1 e1wplG1 e1wplH1 e1wplS1 e1wplI1 e1wplH1 e1wplT1 e1wplI1 e1wplJ1 | Glucose permease domain IIB-like T-fold T-fold Glucose permease domain IIB-like T-fold T-fold Glucose permease domain IIB-like T-fold T-fold Glucose permease domain IIB-like T-fold T-fold Glucose permease domain IIB-like T-fold T-fold Glucose permease domain IIB-like T-fold T-fold Glucose permease domain IIB-like T-fold T-fold Glucose permease domain IIB-like T-fold T-fold | LigPlot |