PDB ligand accession: PQ0
DrugBank: DB03074
PubChem: 446357;135446206;
ChEMBL:
InChI Key: FMKSMYDYKXQYRV-UHFFFAOYSA-N
SMILES: c1c(c2c([nH]1)N=C(NC2=O)N)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrrolopyrimidines
- Subclass: Pyrrolo[2,3-d]pyrimidines
- Class: Pyrrolopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2PWV | Download | Experimental | e2pwvA1 | TIM beta/alpha-barrel | LigPlot |
2QII | Download | Experimental | e2qiiA1 | TIM beta/alpha-barrel | LigPlot |
1P0B | Download | Experimental | e1p0bA1 | TIM beta/alpha-barrel | LigPlot |