Receptor
PDB id Resolution Class Description Source Keywords
5wuk 2.03 Å EC: 2.1.1.43 CRYSTAL STRUCTURE OF EED [G255D] IN COMPLEX WITH EZH2 PEPTID EED226 COMPOUND HOMO SAPIENS EED GENE REGULATION
Ref.: SPLIT LUCIFERASE-BASED BIOSENSORS FOR CHARACTERIZIN BINDERS ANAL. BIOCHEM. V. 522 37 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:501;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
73K A:502;
 Valid;
 none;
 Kd = 14 nM
369.398 C17 H15 N5 O3 S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WUK 2.03 Å EC: 2.1.1.43 CRYSTAL STRUCTURE OF EED [G255D] IN COMPLEX WITH EZH2 PEPTID EED226 COMPOUND HOMO SAPIENS EED GENE REGULATION
Ref.: SPLIT LUCIFERASE-BASED BIOSENSORS FOR CHARACTERIZIN BINDERS ANAL. BIOCHEM. V. 522 37 2017
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 37 families.
1 5H17 ic50 = 0.89 uM LQE C23 H29 N O2 CN1C[C@H](....
2 5U5T ic50 = 3.9 uM 7W7 C14 H19 N3 O2 [H]/N=C(/N....
3 5H19 ic50 = 0.32 uM LQF C22 H20 N6 O c1ccc(cc1)....
4 5H24 - LQG C12 H9 N5 O c1cc(oc1)C....
5 5GSA Kd = 82.5 nM 73K C17 H15 N5 O3 S CS(=O)(=O)....
6 5H14 ic50 = 8.76 uM LQB C20 H20 N4 O2 Cc1cc(n(n1....
7 5U62 ic50 = 1.3 uM 7WD C15 H17 N3 O2 c1cc(c2c(c....
8 5WUK Kd = 14 nM 73K C17 H15 N5 O3 S CS(=O)(=O)....
9 5H15 ic50 = 1.57 uM LQD C23 H29 N3 O Cn1cc(c2c1....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 5H17 ic50 = 0.89 uM LQE C23 H29 N O2 CN1C[C@H](....
2 5U5T ic50 = 3.9 uM 7W7 C14 H19 N3 O2 [H]/N=C(/N....
3 5H19 ic50 = 0.32 uM LQF C22 H20 N6 O c1ccc(cc1)....
4 5H24 - LQG C12 H9 N5 O c1cc(oc1)C....
5 5GSA Kd = 82.5 nM 73K C17 H15 N5 O3 S CS(=O)(=O)....
6 5H14 ic50 = 8.76 uM LQB C20 H20 N4 O2 Cc1cc(n(n1....
7 5U62 ic50 = 1.3 uM 7WD C15 H17 N3 O2 c1cc(c2c(c....
8 5WUK Kd = 14 nM 73K C17 H15 N5 O3 S CS(=O)(=O)....
9 5H15 ic50 = 1.57 uM LQD C23 H29 N3 O Cn1cc(c2c1....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 5H17 ic50 = 0.89 uM LQE C23 H29 N O2 CN1C[C@H](....
2 5U5T ic50 = 3.9 uM 7W7 C14 H19 N3 O2 [H]/N=C(/N....
3 5H19 ic50 = 0.32 uM LQF C22 H20 N6 O c1ccc(cc1)....
4 5H24 - LQG C12 H9 N5 O c1cc(oc1)C....
5 5GSA Kd = 82.5 nM 73K C17 H15 N5 O3 S CS(=O)(=O)....
6 5H14 ic50 = 8.76 uM LQB C20 H20 N4 O2 Cc1cc(n(n1....
7 5U62 ic50 = 1.3 uM 7WD C15 H17 N3 O2 c1cc(c2c(c....
8 5WUK Kd = 14 nM 73K C17 H15 N5 O3 S CS(=O)(=O)....
9 5H15 ic50 = 1.57 uM LQD C23 H29 N3 O Cn1cc(c2c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 73K; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 73K 1 1
2 L9W 0.574468 0.886076
Similar Ligands (3D)
Ligand no: 1; Ligand: 73K; Similar ligands found: 4
No: Ligand Similarity coefficient
1 L9K 0.9198
2 DWH 0.8973
3 KK3 0.8832
4 D9H 0.8570
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WUK; Ligand: 73K; 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: 5wuk.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback