PDB ligand accession: AB3
DrugBank: DB04463
PubChem:
ChEMBL: n/a
InChI Key: CPLGZXQPPYRNRC-UHFFFAOYSA-N
SMILES: CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N
Drug action: ligand
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3BHJ | Download | Experimental | e3bhjA1 | Rossmann-like | LigPlot |
3BHM | Download | Experimental | e3bhmA1 | Rossmann-like | LigPlot |
1WMA | Download | Experimental | e1wmaA1 | Rossmann-like | LigPlot |