PDB ligand accession: 4VS
DrugBank: n/a
PubChem: n/a
ChEMBL:
InChI Key: BEASIHRTQREINR-UHFFFAOYSA-N
SMILES: CCC1=CC(=O)n2c(c(c(n2)C)C#N)N1
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrazolopyrimidines
- Subclass: Pyrazolo[1,5-a]pyrimidines
- Class: Pyrazolopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5BWT | Download | Experimental | e5bwtA1 e5bwtA2 e5bwtB2 e5bwtA1 e5bwtA2 e5bwtB1 e5bwtB2 | a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes | LigPlot |