Ligand name: (2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide
PDB ligand accession: 59S
DrugBank: n/a
PubChem: 163183776
ChEMBL: CHEMBL5207843
InChI Key: ICHROBBMJKBDDC-SXDMNLNLSA-N
SMILES: CC(C)CC(C(=O)NC(CC1CCCNC1=O)C=O)NC(=O)C(C(C)C)NC(=O)C=Cc2ccc(cc2)OC
Drug action: n/a

List of PDB structures and/or AlphaFold models with target protein P0DTC1

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
7WO3 Download Experimental e7wo3A1
e7wo3A2
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
cradle loop barrel
LigPlot