Ligand name: 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
PDB ligand accession: 4W4
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL3617082
InChI Key: MRXJYWNXFPIXSE-UHFFFAOYSA-N
SMILES: CCCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3F)Cl)C#N)N1
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolopyrimidines
      • Subclass: Pyrazolo[1,5-a]pyrimidines

List of PDB structures and/or AlphaFold models with target protein O15382

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5BWX	Download	Experimental	e5bwxA1 e5bwxA2 e5bwxB2 e5bwxA1 e5bwxA2 e5bwxB1 e5bwxB2	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 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	LigPlot