Ligand name: (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile
PDB ligand accession: GI8
DrugBank: n/a
PubChem: 129012046
ChEMBL: n/a
InChI Key: DRGJPMMQBOXCQB-DEOSSOPVSA-N
SMILES: Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)c4ccc(s4)COC)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
5GVL	Download	Experimental	e5gvlA1 e5gvlA2 e5gvlB3 e5gvlB2 e5gvlA2 e5gvlB3 e5gvlC1 e5gvlC2	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