Ligand name: 4-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]-~{N}-methyl-~{N}-(phenylmethyl)benzenesulfonamide
PDB ligand accession: 8A6
DrugBank: n/a
PubChem: 131801447
ChEMBL: n/a
InChI Key: DBROLDANENNIQJ-HKBQPEDESA-N
SMILES: Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)Cc5ccccc5)C(C)C)C#N)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein A0A1G4H5I1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5XMQ	Download	Experimental	e5xmqA1 e5xmqA2 e5xmqB2 e5xmqA1 e5xmqA2 e5xmqB1 e5xmqB2 e5xmqC1 e5xmqC2	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 C-terminal domain in some PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases	LigPlot