PDB ligand accession: C2F
DrugBank: DB11256
PubChem: 444412;5287865;135398561;
ChEMBL:
InChI Key: ZNOVTXRBGFNYRX-STQMWFEESA-N
SMILES: CN1C(CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=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 |
---|---|---|---|---|---|
1XR2 | Download | Experimental | e1xr2A1 e1xr2A2 e1xr2B1 e1xr2B2 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
1XPG | Download | Experimental | e1xpgA1 e1xpgA2 e1xpgB1 e1xpgB2 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |