Receptor
PDB id Resolution Class Description Source Keywords
6B5Q 2.16 Å NON-ENZYME: OTHER DCN1 BOUND TO 38 HOMO SAPIENS E3 LIGASE COMPLEX LIGASE-INHIBITOR COMPLEX LIGASE
Ref.: HIGH-AFFINITY PEPTIDOMIMETIC INHIBITORS OF THE DCN1 PROTEIN-PROTEIN INTERACTION. J. MED. CHEM. V. 61 1934 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PPI CZS 2KY MLY 1XY E:1;
D:1;
Valid;
Valid;
none;
none;
Kd = 5.7 nM
726.363 n/a Clc1c...
PGE B:301;
A:301;
Invalid;
Invalid;
none;
none;
submit data
150.173 C6 H14 O4 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6B5Q 2.16 Å NON-ENZYME: OTHER DCN1 BOUND TO 38 HOMO SAPIENS E3 LIGASE COMPLEX LIGASE-INHIBITOR COMPLEX LIGASE
Ref.: HIGH-AFFINITY PEPTIDOMIMETIC INHIBITORS OF THE DCN1 PROTEIN-PROTEIN INTERACTION. J. MED. CHEM. V. 61 1934 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6B5Q Kd = 5.7 nM PPI CZS 2KY MLY 1XY n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6B5Q Kd = 5.7 nM PPI CZS 2KY MLY 1XY n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 5V83 ic50 = 7 uM 8Z7 C20 H22 F3 N3 O c1ccc(cc1)....
2 6BG3 ic50 = 12 uM DOJ C22 H26 F3 N3 O3 C[C@@H](O)....
3 6P5V ic50 = 0.2 uM O37 C29 H31 F N4 O2 CCN1c2c(c(....
4 5V86 ic50 = 80 nM 8ZA C23 H29 Cl2 N3 O CCCCN1CCC(....
5 6BG5 ic50 = 1 uM DQD C24 H28 F3 N3 O3 CCCN1CCC(C....
6 6P5W ic50 = 5.1 uM O0A C28 H26 N4 O2 Cc1ccc(cc1....
7 6B5Q Kd = 5.7 nM PPI CZS 2KY MLY 1XY n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PPI CZS 2KY MLY 1XY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PPI CZS 2KY MLY 1XY 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: PPI CZS 2KY MLY 1XY; 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 : 6B5Q; Ligand: PPI CZS 2KY MLY 1XY; 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: 6b5q.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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