Receptor
PDB id Resolution Class Description Source Keywords
5V86 1.37 Å NON-ENZYME: OTHER STRUCTURE OF DCN1 BOUND TO NACM-OPT ENTEROBACTERIA PHAGE T4, HOMO SAPIENS E3 LIGASE HYDROLASE
Ref.: BLOCKING AN N-TERMINAL ACETYLATION-DEPENDENT PROTEI INTERACTION INHIBITS AN E3 LIGASE. NAT. CHEM. BIOL. V. 13 850 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8ZA A:2001;
Valid;
none;
ic50 = 80 nM
434.402 C23 H29 Cl2 N3 O CCCCN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5V86 1.37 Å NON-ENZYME: OTHER STRUCTURE OF DCN1 BOUND TO NACM-OPT ENTEROBACTERIA PHAGE T4, HOMO SAPIENS E3 LIGASE HYDROLASE
Ref.: BLOCKING AN N-TERMINAL ACETYLATION-DEPENDENT PROTEI INTERACTION INHIBITS AN E3 LIGASE. NAT. CHEM. BIOL. V. 13 850 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5V83 ic50 = 7 uM 8Z7 C20 H22 F3 N3 O c1ccc(cc1)....
2 5V86 ic50 = 80 nM 8ZA C23 H29 Cl2 N3 O CCCCN1CCC(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5V83 ic50 = 7 uM 8Z7 C20 H22 F3 N3 O c1ccc(cc1)....
2 5V86 ic50 = 80 nM 8ZA C23 H29 Cl2 N3 O CCCCN1CCC(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5V83 ic50 = 7 uM 8Z7 C20 H22 F3 N3 O c1ccc(cc1)....
2 5V86 ic50 = 80 nM 8ZA C23 H29 Cl2 N3 O CCCCN1CCC(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8ZA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 8ZA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5V86; Ligand: 8ZA; Similar sites found: 5
This union binding pocket(no: 1) in the query (biounit: 5v86.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TKA CTN 0.00326 0.46321 2.30548
2 1HSJ GLC 0.007298 0.42974 2.86458
3 1SS4 CIT 0.000476 0.47935 5.88235
4 1SS4 GSH 0.01121 0.42217 5.88235
5 1RYI GOA 0.02651 0.4029 9.1623
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