PDB ligand accession: 7YA
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: DDFTUZONFSKIPC-LBPRGKRZSA-N
SMILES: CC(C(=O)NCc1cccc(c1)n2c(c(cn2)c3cc4cnccc4[nH]3)O)O
Drug action: n/a
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 |
---|---|---|---|---|---|
5PAE | Download | Experimental | e5paeB1 | cradle loop barrel | LigPlot |