Ligand name: 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate
PDB ligand accession: TKY
DrugBank: n/a
PubChem: 154585685
ChEMBL: n/a
InChI Key: ZYNKGHHFEDYPKB-HQBWEIPVSA-N
SMILES: CC(C(=O)NC(C(=O)N1Cc2cc(ccc2CC1C(=O)NC3CCCc4c3cccc4)OCCOCCOCCOCCOCCOC(=O)N5CCCC(C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(cc8F)F)C(=O)N)N)C(C)(C)C)NC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q13490

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6W8I	Download	Experimental	e6w8iC1 e6w8iF1 e6w8iA1 e6w8iD1 e6w8iB1 e6w8iE1	Protein kinase/SAICAR synthase/ATP-grasp Inhibitor of apoptosis (IAP) repeat Protein kinase/SAICAR synthase/ATP-grasp Inhibitor of apoptosis (IAP) repeat Protein kinase/SAICAR synthase/ATP-grasp Inhibitor of apoptosis (IAP) repeat	LigPlot
6W74	Download	Experimental	e6w74A1	Inhibitor of apoptosis (IAP) repeat	LigPlot