Receptor
PDB id Resolution Class Description Source Keywords
6m92 2.35 Å NON-ENZYME: OTHER MONOPHOSPHORYLATED PSER33 B-CATENIN PEPTIDE, B-TRCP/SKP1, NR TERNARY COMPLEX HOMO SAPIENS UBIQUITIN MOLECULAR GLUE ENHANCER LIGASE
Ref.: PROSPECTIVE DISCOVERY OF SMALL MOLECULE ENHANCERS O LIGASE-SUBSTRATE INTERACTION. NAT COMMUN V. 10 1402 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
J8V A:601;
 Valid;
 none;
 submit data
418.323 C20 H13 F3 N2 O5 c1ccc...
PO4 A:602;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6M90 2.05 Å NON-ENZYME: OTHER MONOPHOSPHORYLATED PSER33 B-CATENIN PEPTIDE, B-TRCP/SKP1, NR TERNARY COMPLEX HOMO SAPIENS UBIQUITIN MOLECULAR GLUE ENHANCER LIGASE
Ref.: PROSPECTIVE DISCOVERY OF SMALL MOLECULE ENHANCERS O LIGASE-SUBSTRATE INTERACTION. NAT COMMUN V. 10 1402 2019
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6M90 - J91 C20 H12 F4 N2 O5 c1ccc(c(c1....
2 6M93 - J8Y C14 H9 F3 N6 O2 c1cc(cc(c1....
3 6M92 - J8V C20 H13 F3 N2 O5 c1ccc(cc1)....
4 6M91 - J97 C20 H11 Cl2 F3 N2 O4 S c1cc(cc(c1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6M90 - J91 C20 H12 F4 N2 O5 c1ccc(c(c1....
2 6M93 - J8Y C14 H9 F3 N6 O2 c1cc(cc(c1....
3 6M92 - J8V C20 H13 F3 N2 O5 c1ccc(cc1)....
4 6M91 - J97 C20 H11 Cl2 F3 N2 O4 S c1cc(cc(c1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6M90 - J91 C20 H12 F4 N2 O5 c1ccc(c(c1....
2 6M93 - J8Y C14 H9 F3 N6 O2 c1cc(cc(c1....
3 6M92 - J8V C20 H13 F3 N2 O5 c1ccc(cc1)....
4 6M91 - J97 C20 H11 Cl2 F3 N2 O4 S c1cc(cc(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: J8V; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 J8V 1 1
2 J97 0.521739 0.824561
Similar Ligands (3D)
Ligand no: 1; Ligand: J8V; 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 : 6M90; Ligand: J91; 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: 6m90.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6M90; Ligand: J91; 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: 6m90.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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