Ligand name: boceprevir (bound form)
PDB ligand accession: U5G
DrugBank: n/a
PubChem: 71316139
ChEMBL: CHEMBL3542332
InChI Key: FEBWCINGHXXUCV-GFLQDLJJSA-N
SMILES: CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(C(=O)N)O)C
Drug action: n/a

ClassyFire chemical classification:

List of PDB structures and/or AlphaFold models with target protein P0DTD1

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
7COM Download Experimental e7comA1
e7comA2
e7comB1
e7comB2
cradle loop barrel
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
cradle loop barrel
LigPlot
7NBR Download Experimental e7nbrAAA1
e7nbrAAA2
cradle loop barrel
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
LigPlot
6XQU Download Experimental e6xquA1
e6xquA2
cradle loop barrel
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
LigPlot
6WNP Download Experimental e6wnpA1
e6wnpA2
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
cradle loop barrel
LigPlot
6ZRU Download Experimental e6zruA1
e6zruA2
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
cradle loop barrel
LigPlot
7K40 Download Experimental e7k40A1
e7k40A2
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
cradle loop barrel
LigPlot
7C6S Download Experimental e7c6sA1
e7c6sA2
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
cradle loop barrel
LigPlot