Receptor
PDB id Resolution Class Description Source Keywords
5EXA 1.95 Å NON-ENZYME: OTHER SMALL-MOLECULE STABILIZATION OF THE 14-3-3/GAB2 PPI INTERFAC HOMO SAPIENS 14-3-3 GAB2 PROTEIN DIPHOSPHORYLATION SIGNALING PROTEIN
Ref.: SMALL-MOLECULE STABILIZATION OF THE 14-3-3/GAB2 PROTEIN-PROTEIN INTERACTION (PPI) INTERFACE. CHEMMEDCHEM V. 11 911 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEZ A:302;
B:303;
Invalid;
Invalid;
none;
none;
submit data
122.121 C7 H6 O2 c1ccc...
MG B:301;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PRO ARG ARG ASN TPO LEU PRO ALA MET ASP GLN D:387;
C:387;
Part of Protein;
Part of Protein;
none;
none;
submit data
n/a n/a
5SO A:301;
B:302;
Valid;
Valid;
none;
none;
submit data
536.697 C30 H48 O8 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EXA 1.95 Å NON-ENZYME: OTHER SMALL-MOLECULE STABILIZATION OF THE 14-3-3/GAB2 PPI INTERFAC HOMO SAPIENS 14-3-3 GAB2 PROTEIN DIPHOSPHORYLATION SIGNALING PROTEIN
Ref.: SMALL-MOLECULE STABILIZATION OF THE 14-3-3/GAB2 PROTEIN-PROTEIN INTERACTION (PPI) INTERFACE. CHEMMEDCHEM V. 11 911 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5EXA - 5SO C30 H48 O8 C[C@@H]1[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5EXA - 5SO C30 H48 O8 C[C@@H]1[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5EXA - 5SO C30 H48 O8 C[C@@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5SO; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 5SO 1 1
2 0V4 0.651376 0.907407
Similar Ligands (3D)
Ligand no: 1; Ligand: 5SO; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EXA; Ligand: 5SO; 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: 5exa.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5EXA; Ligand: 5SO; 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: 5exa.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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