Ligand name: (2~{S})-2-[[(2~{S})-1-[[(2~{S},3~{S})-3-[[(2~{S})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{Z})-[(3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
PDB ligand accession: NKD
DrugBank: n/a
PubChem: 138454921
ChEMBL: CHEMBL4756360
InChI Key: FPCKAOGINMZAIN-MNATZBQSSA-N
SMILES: CC(C(C(=O)NC=C1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)NC(=O)C(CCSC)NC(=O)NC(Cc3cccc(c3)O)C(=O)O)N(C)C(=O)C(Cc4cccc(c4)O)N

ClassyFire chemical classification:

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

List of proteins that are targets for NKD

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	O66465_NKD	O66465	n/a