Ligand name: 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile
PDB ligand accession: U30
DrugBank: DB17506
PubChem: 135242184
ChEMBL: CHEMBL4740383
InChI Key: BUXIAWLTBSXYSW-UHFFFAOYSA-N
SMILES: Cc1c(cccc1c2cc(nc(n2)N)c3cn(nn3)Cc4cccc(n4)C(C)(C)O)C#N
Drug action: antagonist

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein P29274

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8CIC	Download	Experimental	e8cicA1	Family A G protein-coupled receptor-like	LigPlot
8JWZ	Download	Experimental	e8jwzA2	Family A G protein-coupled receptor-like	LigPlot
8C9W	Download	Experimental	e8c9wA1	Family A G protein-coupled receptor-like	LigPlot