Ligand name: (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
PDB ligand accession: USU
DrugBank: n/a
PubChem: 168355698
ChEMBL: n/a
InChI Key: UJSSMRPTIGCTEH-MHECFPHRSA-N
SMILES: CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc3ccc(cc3)F)Cc4cccc5c4cccc5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Peptidomimetics
      • Subclass: Hybrid peptides

List of PDB structures and/or AlphaFold models with target protein Q2G036

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8EF8	Download	Experimental	e8ef8A1 e8ef8B1 e8ef8B1 e8ef8C1 e8ef8C1 e8ef8D1 e8ef8D1 e8ef8E1 e8ef8E1 e8ef8F1 e8ef8F1 e8ef8G1 e8ef8I1 e8ef8K1 e8ef8K1 e8ef8L1 e8ef8M1 e8ef8N1 e8ef8N1 e8ef8S1 e8ef8S1 e8ef8T1 e8ef8I1 e8ef8T1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot
8E71	Download	Experimental	e8e71A1 e8e71B1 e8e71B1 e8e71C1 e8e71C1 e8e71D1 e8e71D1 e8e71E1 e8e71E1 e8e71F1 e8e71F1 e8e71G1 e8e71A1 e8e71G1 e8e71I1 e8e71K1 e8e71K1 e8e71L1 e8e71L1 e8e71M1 e8e71N1 e8e71M1 e8e71N1 e8e71S1 e8e71S1 e8e71T1 e8e71I1 e8e71T1	ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase	LigPlot