Ligand name: 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)
PDB ligand accession: N9V
DrugBank: n/a
PubChem: 138753325
ChEMBL: n/a
InChI Key: FBYIVOIRCUIQPJ-YWIQEZFGSA-N
SMILES: CCC(C(=O)O)C(=O)SCCNC(=O)C=CNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of PDB structures and/or AlphaFold models with target protein E4N096

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6OWE	Download	Experimental	e6oweA1 e6oweA2 e6oweC1 e6oweB1 e6oweB2 e6oweD2	GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like	LigPlot