Ligand name: 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
PDB ligand accession: P8M
DrugBank: n/a
PubChem: 154585731
ChEMBL: CHEMBL4782843
InChI Key: KTCLNOGFWLXRFB-UHFFFAOYSA-N
SMILES: c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein P00338

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Q0D	Download	Experimental	e6q0dA1 e6q0dA2 e6q0dB1 e6q0dB2 e6q0dC1 e6q0dC2 e6q0dD1 e6q0dD2 e6q0dE1 e6q0dE2 e6q0dF1 e6q0dF2	LDH C-terminal domain-like Rossmann-like Rossmann-like LDH C-terminal domain-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like Rossmann-like LDH C-terminal domain-like LDH C-terminal domain-like Rossmann-like	LigPlot