Ligand name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide
PDB ligand accession: E6L
DrugBank: DB06237
PubChem: 9869929
ChEMBL: CHEMBL1963681
InChI Key: WEAJZXNPAWBCOA-INIZCTEOSA-N
SMILES: COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCCC3CO)C(=O)NCc4ncccn4
Drug action: inhibitor

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein O76074

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6L6E	Download	Experimental	e6l6eA1	PDEase-like	LigPlot