Ligand name: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate
PDB ligand accession: 99S
DrugBank: n/a
PubChem: 137348795
ChEMBL: n/a
InChI Key: CTJJXDPGSNOYMV-DEOSSOPVSA-N
SMILES: Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)c4ccc(s4)C(=O)OC)C#N)C(C)C)C#N)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Thiophenes
      • Subclass: Thiophene carboxylic acids and derivatives

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
4TMR	Download	Experimental	e4tmrA1 e4tmrA2 e4tmrB3 e4tmrA1 e4tmrB2 e4tmrB3 e4tmrC1 e4tmrC2	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 C-terminal domain in some PLP-dependent transferases PLP-dependent transferases	LigPlot