PDB ligand accession: 9DG
DrugBank: DB04356
PubChem: 100684;5287566;135461003;
ChEMBL:
InChI Key: FFYPRJYSJODFFD-UHFFFAOYSA-N
SMILES: c1c[nH]c2c1N=C(NC2=O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrrolopyrimidines
- Subclass: None
- Class: Pyrrolopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1Q2R | Download | Experimental | e1q2rA1 e1q2rB1 e1q2rC1 e1q2rD1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
1Q2S | Download | Experimental | e1q2sC1 | TIM beta/alpha-barrel | LigPlot |