PDB ligand accession: PT1
DrugBank: DB04196
PubChem: 95054;5281044;135398749;
ChEMBL:
InChI Key: JOAQINSXLLMRCV-UHFFFAOYSA-N
SMILES: c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)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 |
---|---|---|---|---|---|
5U10 | Download | Experimental | e5u10A1 e5u10B1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |