Receptor
PDB id Resolution Class Description Source Keywords
4OVZ 2.5 Å EC: 4.22.69 X-RAY STRUCTURAL AND BIOLOGICAL EVALUATION OF A SERIES OF PO HIGHLY SELECTIVE INHIBITORS OF HUMAN CORONAVIRUS PAPAIN-LIKP ROTEASES SARS CORONAVIRUS COV CORONAVIRUS HCOV HUMAN CORONAVIRUS SARS SEVERE ACUTRESPIRATORY SYNDROME MERS MIDDLE EAST RESPIRATORY SYNDROMPROTEASE INHIBITOR COMPLEX DUB DEUBIQUITINATING ENZYME HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: X-RAY STRUCTURAL AND BIOLOGICAL EVALUATION OF A SER POTENT AND HIGHLY SELECTIVE INHIBITORS OF HUMAN COR PAPAIN-LIKE PROTEASES. J.MED.CHEM. V. 57 2393 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS B:905;
B:907;
B:904;
B:906;
A:903;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
P85 B:902;
A:902;
Valid;
Valid;
none;
none;
ic50 = 0.49 uM
390.493 C25 H27 F N2 O C[C@H...
ZN A:901;
B:901;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
NA B:903;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OVZ 2.5 Å EC: 4.22.69 X-RAY STRUCTURAL AND BIOLOGICAL EVALUATION OF A SERIES OF PO HIGHLY SELECTIVE INHIBITORS OF HUMAN CORONAVIRUS PAPAIN-LIKP ROTEASES SARS CORONAVIRUS COV CORONAVIRUS HCOV HUMAN CORONAVIRUS SARS SEVERE ACUTRESPIRATORY SYNDROME MERS MIDDLE EAST RESPIRATORY SYNDROMPROTEASE INHIBITOR COMPLEX DUB DEUBIQUITINATING ENZYME HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: X-RAY STRUCTURAL AND BIOLOGICAL EVALUATION OF A SER POTENT AND HIGHLY SELECTIVE INHIBITORS OF HUMAN COR PAPAIN-LIKE PROTEASES. J.MED.CHEM. V. 57 2393 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4OVZ ic50 = 0.49 uM P85 C25 H27 F N2 O C[C@H](c1c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4OVZ ic50 = 0.49 uM P85 C25 H27 F N2 O C[C@H](c1c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4OVZ ic50 = 0.49 uM P85 C25 H27 F N2 O C[C@H](c1c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P85; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 P85 1 1
2 S88 0.753086 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OVZ; Ligand: P85; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4ovz.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4OVZ; Ligand: P85; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ovz.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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