Ligand name: (2~{S})-2-(dimethylamino)-3-(2-sulfo-1~{H}-imidazol-4-yl)propanoic acid
PDB ligand accession: KZ5
DrugBank: n/a
PubChem: 138455186
ChEMBL: n/a
InChI Key: OQJDKDQHBPCLDD-LURJTMIESA-N
SMILES: CN(C)C(Cc1c[nH]c(n1)S(=O)(=O)O)C(=O)O
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 M2BPW8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6S7Q	Download	Experimental	e6s7qA1 e6s7qA2 e6s7qB2 e6s7qD2 e6s7qB2 e6s7qC1 e6s7qC2 e6s7qD2 e6s7qA1 e6s7qC2 e6s7qD1 e6s7qD2 e6s7qE1 e6s7qE2 e6s7qH1 e6s7qH2 e6s7qF1 e6s7qF2 e6s7qG1 e6s7qF2 e6s7qG1 e6s7qG2 e6s7qE1 e6s7qE2 e6s7qH1	L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like	LigPlot