Receptor
PDB id Resolution Class Description Source Keywords
6M93 2.5 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
J8Y A:601;
 Valid;
 none;
 submit data
350.255 C14 H9 F3 N6 O2 c1cc(...
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: J8Y; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 J8Y 1 1
2 DN6 0.544304 0.77193
3 R6Z 0.518072 0.789474
4 F13 0.506329 0.724138
5 DN8 0.4875 0.694915
6 J1X 0.473118 0.75
7 MZV 0.468085 0.807018
8 0J7 0.45977 0.701754
9 0JB 0.438202 0.724138
10 0J6 0.428571 0.672414
Similar Ligands (3D)
Ligand no: 1; Ligand: J8Y; Similar ligands found: 17
No: Ligand Similarity coefficient
1 BAK 0.8885
2 132 0.8867
3 696 0.8847
4 7M3 0.8847
5 2SN 0.8811
6 130 0.8776
7 780 0.8776
8 LI3 0.8739
9 BRN 0.8729
10 655 0.8729
11 762 0.8678
12 656 0.8661
13 TUE 0.8601
14 M94 0.8591
15 972 0.8590
16 L1R 0.8587
17 XEB 0.8508
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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