Receptor
PDB id Resolution Class Description Source Keywords
5M37 2.35 Å EC: 3.1.3.48 THE MOLECULAR TWEEZER CLR01 STABILIZES A DISORDERED PROTEIN- INTERFACE HOMO SAPIENS STABILIZATION 14-3-3 DISORDERED PPI INTERFACE CDC25C HYD
Ref.: THE MOLECULAR TWEEZER CLR01 STABILIZES A DISORDERED PROTEIN-PROTEIN INTERFACE. J. AM. CHEM. SOC. V. 139 16256 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9SZ B:301;
C:301;
A:301;
D:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
726.646 C42 H32 O8 P2 c1ccc...
BEZ A:302;
B:302;
Invalid;
Invalid;
none;
none;
submit data
122.121 C7 H6 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5M37 2.35 Å EC: 3.1.3.48 THE MOLECULAR TWEEZER CLR01 STABILIZES A DISORDERED PROTEIN- INTERFACE HOMO SAPIENS STABILIZATION 14-3-3 DISORDERED PPI INTERFACE CDC25C HYD
Ref.: THE MOLECULAR TWEEZER CLR01 STABILIZES A DISORDERED PROTEIN-PROTEIN INTERFACE. J. AM. CHEM. SOC. V. 139 16256 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 5M37 - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 5M37 - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 5M36 - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
2 5M37 - 9SZ C42 H32 O8 P2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 9SZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9SZ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5M37; Ligand: 9SZ; 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: 5m37.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5M37; Ligand: 9SZ; 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: 5m37.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5M37; Ligand: 9SZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5m37.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5M37; Ligand: 9SZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5m37.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback