Receptor
PDB id Resolution Class Description Source Keywords
5N1X 1.72 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH PYR PYRIMIDINE LIGAND HOMO SAPIENS KINASE TRANSFERASE
Ref.: DISCOVERY OF PYRAZOLO[1,5-A]PYRIMIDINE B-CELL LYMPH (BCL6) BINDERS AND OPTIMIZATION TO HIGH AFFINITY MA INHIBITORS. J. MED. CHEM. V. 60 4386 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8HH B:201;
B:202;
D:201;
C:201;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 689 uM
239.276 C13 H13 N5 CCNc1...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5N1X 1.72 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE BCL6 BTB DOMAIN IN COMPLEX WITH PYR PYRIMIDINE LIGAND HOMO SAPIENS KINASE TRANSFERASE
Ref.: DISCOVERY OF PYRAZOLO[1,5-A]PYRIMIDINE B-CELL LYMPH (BCL6) BINDERS AND OPTIMIZATION TO HIGH AFFINITY MA INHIBITORS. J. MED. CHEM. V. 60 4386 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 5N1X Kd = 689 uM 8HH C13 H13 N5 CCNc1cc(nc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 5N1X Kd = 689 uM 8HH C13 H13 N5 CCNc1cc(nc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 5N1X Kd = 689 uM 8HH C13 H13 N5 CCNc1cc(nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8HH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 8HH 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5N1X; Ligand: 8HH; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5n1x.bio3) has 4 residues
No: Leader PDB Ligand Sequence Similarity
1 1EE0 CAA 5.9322
2 1A05 IPM 9.32203
Pocket No.: 2; Query (leader) PDB : 5N1X; Ligand: 8HH; 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: 5n1x.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5N1X; Ligand: 8HH; 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: 5n1x.bio2) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5N1X; Ligand: 8HH; 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: 5n1x.bio4) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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