Ligand name: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S},3~{R})-4-(cyclopentylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
PDB ligand accession: 7ON
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: FMXUVDFVVNRAMG-IFCRGVKQSA-N
SMILES: C1CCC(CC1)C(C(=O)N2CC3CCCC3C2C(=O)NC(CC4CCNC4=O)C(C(=O)NC5CCCC5)O)NC(=O)C(F)(F)F
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
8IGN Download Experimental e8ignB1
e8ignB2
e8ignA1
e8ignA2
e8ignB2
e8ignA1
e8ignA2
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
cradle loop barrel
cradle loop barrel
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
cradle loop barrel
cradle loop barrel
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
LigPlot