Ligand name: 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide
PDB ligand accession: G45
DrugBank: n/a
PubChem: 129012045
ChEMBL: n/a
InChI Key: KSCQEXGCEZGBHT-DEOSSOPVSA-N
SMILES: Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)c4ccc(s4)S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzonitriles

List of PDB structures and/or AlphaFold models with target protein A5K8L9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5GVK	Download	Experimental	e5gvkA1 e5gvkA2 e5gvkB3 e5gvkB2 e5gvkA2 e5gvkB3 e5gvkC2 e5gvkC3	C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases	LigPlot