Receptor
PDB id Resolution Class Description Source Keywords
4NCW 1.3 Å NON-ENZYME: OTHER FOLDON DOMAIN WILD TYPE C-CONJUGATE ENTEROBACTERIA PHAGE T4 TRIMERIC SCAFFOLD CHEMICAL LIGATION FOLDING TRAZIDO-FUNCTTRIMESIC ACID SCAFFOLD VIRAL PROTEIN
Ref.: VERSATILE C(3)-SYMMETRIC SCAFFOLDS AND THEIR USE FO COVALENT STABILIZATION OF THE FOLDON TRIMER. ORG.BIOMOL.CHEM. V. 12 2606 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2KN B:101;
 Valid;
 none;
 submit data
291.346 C15 H21 N3 O3 CCNC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NCW 1.3 Å NON-ENZYME: OTHER FOLDON DOMAIN WILD TYPE C-CONJUGATE ENTEROBACTERIA PHAGE T4 TRIMERIC SCAFFOLD CHEMICAL LIGATION FOLDING TRAZIDO-FUNCTTRIMESIC ACID SCAFFOLD VIRAL PROTEIN
Ref.: VERSATILE C(3)-SYMMETRIC SCAFFOLDS AND THEIR USE FO COVALENT STABILIZATION OF THE FOLDON TRIMER. ORG.BIOMOL.CHEM. V. 12 2606 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4NCW - 2KN C15 H21 N3 O3 CCNC(=O)c1....
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 4NCW - 2KN C15 H21 N3 O3 CCNC(=O)c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4NCW - 2KN C15 H21 N3 O3 CCNC(=O)c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2KN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2KN 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 2KN; 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 : 4NCW; Ligand: 2KN; 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: 4ncw.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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