Receptor
PDB id Resolution Class Description Source Keywords
7AFW 1.81 Å NON-ENZYME: OTHER BETA-CATENIN IN COMPLEX WITH COMPOUND 6 HOMO SAPIENS FRAGMENT ONCOPROTEIN
Ref.: GETTING A GRIP ON THE UNDRUGGED: TARGETING BETA-CAT FRAGMENT-BASED METHODS. CHEMMEDCHEM 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
R9Q A:401;
 Valid;
 none;
 Kd = 915 uM
278.305 C17 H14 N2 O2 CN1C[...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
7AFW 1.81 Å NON-ENZYME: OTHER BETA-CATENIN IN COMPLEX WITH COMPOUND 6 HOMO SAPIENS FRAGMENT ONCOPROTEIN
Ref.: GETTING A GRIP ON THE UNDRUGGED: TARGETING BETA-CAT FRAGMENT-BASED METHODS. CHEMMEDCHEM 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 7AFW Kd = 915 uM R9Q C17 H14 N2 O2 CN1C[C@H](....
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 7AFW Kd = 915 uM R9Q C17 H14 N2 O2 CN1C[C@H](....
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 7AFW Kd = 915 uM R9Q C17 H14 N2 O2 CN1C[C@H](....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: R9Q; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 R9Q 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: R9Q; Similar ligands found: 4
No: Ligand Similarity coefficient
1 2NJ 0.9205
2 NOS 0.8660
3 Q2R 0.8631
4 0HV 0.8580
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 7AFW; Ligand: R9Q; 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: 7afw.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback