Receptor
PDB id Resolution Class Description Source Keywords
6P9E 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF IL-36GAMMA COMPLEXED TO A-552 HOMO SAPIENS IL-36 SMALL MOLECULE ANTAGONIST CYTOKINE
Ref.: SMALL MOLECULE IL-36 GAMMA ANTAGONIST AS A NOVEL TH APPROACH FOR PLAQUE PSORIASIS. SCI REP V. 9 9089 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
O6D A:4000;
Valid;
none;
Kd = 67.6 nM
469.532 C28 H27 N3 O4 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6P9E 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF IL-36GAMMA COMPLEXED TO A-552 HOMO SAPIENS IL-36 SMALL MOLECULE ANTAGONIST CYTOKINE
Ref.: SMALL MOLECULE IL-36 GAMMA ANTAGONIST AS A NOVEL TH APPROACH FOR PLAQUE PSORIASIS. SCI REP V. 9 9089 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6P9E Kd = 67.6 nM O6D C28 H27 N3 O4 Cc1ccc(cc1....
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 6P9E Kd = 67.6 nM O6D C28 H27 N3 O4 Cc1ccc(cc1....
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 6P9E Kd = 67.6 nM O6D C28 H27 N3 O4 Cc1ccc(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: O6D; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 O6D 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: O6D; 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 : 6P9E; Ligand: O6D; 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: 6p9e.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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