Ligand name: 1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID
PDB ligand accession: YSH
DrugBank: DB03841
PubChem: 449035
ChEMBL: CHEMBL169526
InChI Key: AETHRPHBGJAIBT-UHFFFAOYSA-N
SMILES: CC(C)(C)COc1ccc(cc1C#N)n2cc(cn2)C(=O)O
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 P80457

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1VDV	Download	Experimental	e1vdvA2 e1vdvA7 e1vdvA6 e1vdvB2 e1vdvB7 e1vdvB6	MocoBD/DmpA-related MocoBD/DmpA-related alpha/beta-Hammerhead/Barrel-sandwich hybrid MocoBD/DmpA-related MocoBD/DmpA-related alpha/beta-Hammerhead/Barrel-sandwich hybrid	LigPlot