Receptor
PDB id Resolution Class Description Source Keywords
5WFC 2.28 Å NON-ENZYME: OTHER HUMANIZED MUTANT OF THE CHAETOMIUM THERMOPHILUM POLYCOMB REP COMPLEX 2 BOUND TO THE INHIBITOR GSK343 CHAETOMIUM THERMOPHILUM (STRAIN DSM 14144.50 / IMI 039719) TRANSFERASE INHIBITOR COMPLEX EPIGENETICS TRANSFERASE-TRINHIBITOR COMPLEX
Ref.: AN EVOLUTIONARILY CONSERVED STRUCTURAL PLATFORM FOR INHIBITION BY A CLASS OF EZH2 INHIBITORS. SCI REP V. 8 9092 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:8005;
B:8002;
B:8003;
B:8006;
B:8004;
B:8008;
B:8001;
B:8007;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
A97 B:8009;
 Valid;
 none;
 ic50 = 12.5 uM
541.687 C31 H39 N7 O2 CCCC1...
THR LYS ALA ALA ARG M3L SER ALA PRO ALA THR D:24;
 Part of Protein;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WFC 2.28 Å NON-ENZYME: OTHER HUMANIZED MUTANT OF THE CHAETOMIUM THERMOPHILUM POLYCOMB REP COMPLEX 2 BOUND TO THE INHIBITOR GSK343 CHAETOMIUM THERMOPHILUM (STRAIN DSM 14144.50 / IMI 039719) TRANSFERASE INHIBITOR COMPLEX EPIGENETICS TRANSFERASE-TRINHIBITOR COMPLEX
Ref.: AN EVOLUTIONARILY CONSERVED STRUCTURAL PLATFORM FOR INHIBITION BY A CLASS OF EZH2 INHIBITORS. SCI REP V. 8 9092 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5WFC ic50 = 12.5 uM A97 C31 H39 N7 O2 CCCC1=C(C(....
2 5M5G - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 5KJH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5WFC ic50 = 12.5 uM A97 C31 H39 N7 O2 CCCC1=C(C(....
2 5M5G - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 5KJH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5WFC ic50 = 12.5 uM A97 C31 H39 N7 O2 CCCC1=C(C(....
2 5M5G - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 5KJH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A97; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 A97 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: A97; 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 : 5WFC; Ligand: A97; 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: 5wfc.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
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