PDB ligand accession: 977
DrugBank: DB04168
PubChem: 65457;5282191;135413497;
ChEMBL:
InChI Key: CIUUIPMOFZIWIZ-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2c(c(nc(n2)N)O)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1RSI | Download | Experimental | e1rsiA1 | T-fold | LigPlot |