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Receptor
PDB id Resolution Class Description Source Keywords
5H4I 2 Å NON-ENZYME: OTHER UNLINKED NS2B-NS3 PROTEASE FROM ZIKA VIRUS IN COMPLEX WITH A FRAGMENT ZIKA VIRUS ZIKA VIRUS PROTEASE SERINE PROTEASE NON-STRUCTURAL PROTEINPROTEIN
Ref.: CRYSTAL STRUCTURE OF UNLINKED NS2B-NS3 PROTEASE FRO VIRUS SCIENCE V. 354 1597 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7HQ B:201;
Valid;
none;
submit data
148.162 C8 H8 N2 O c1ccc...
ACT B:202;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ZMS 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ZIKA NS3 PROTEASE IN COMPLEX WITH 4- GUANIDINOMETHYL-PHENYLACETYL-LYS-LYS-ARG-H ZIKA VIRUS VIRAL PROTEASE SERINE PROTEASE NON-STRUCTURAL PROTEIN 3 ZPROTEASE VIRAL PROTEIN HYDROLASE-HYDROLASE INHIBITOR COMP
Ref.: STRUCTURES OF ZIKA VIRUS NS2B-NS3 PROTEASE IN COMPL PEPTIDOMIMETIC INHIBITORS. ANTIVIRAL RES. V. 160 17 2018
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5ZOB - 2UE ARG ARG ARG 00S n/a n/a
2 5H4I - 7HQ C8 H8 N2 O c1ccc2c(c1....
3 5ZMQ - PAC DLY DLY DAR n/a n/a
4 5ZMS - 2UE DLY LYS DAR n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5ZOB - 2UE ARG ARG ARG 00S n/a n/a
2 5H4I - 7HQ C8 H8 N2 O c1ccc2c(c1....
3 5ZMQ - PAC DLY DLY DAR n/a n/a
4 5ZMS - 2UE DLY LYS DAR n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3U1I Ki = 5.6 uM BEZ NLE LYS ARG OAR n/a n/a
2 5ZOB - 2UE ARG ARG ARG 00S n/a n/a
3 5H4I - 7HQ C8 H8 N2 O c1ccc2c(c1....
4 5ZMQ - PAC DLY DLY DAR n/a n/a
5 5ZMS - 2UE DLY LYS DAR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7HQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7HQ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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