Receptor
PDB id Resolution Class Description Source Keywords
6NV2 1.13 Å NON-ENZYME: OTHER 14-3-3 SIGMA WITH RELA/P65 BINDING SITE PS45 IN COMPLEX WITH HOMO SAPIENS FUSICOCCANES NATURAL PRODUCTS P65 1433 PEPTIDE BINDING P
Ref.: SELECTIVITY VIA COOPERATIVITY: PREFERENTIAL STABILI THE P65/14-3-3 INTERACTION WITH SEMISYNTHETIC NATUR PRODUCTS. J.AM.CHEM.SOC. V. 142 11772 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0V4 A:302;
 Valid;
 none;
 submit data
496.633 C27 H44 O8 C[C@@...
CL A:301;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6NV2 1.13 Å NON-ENZYME: OTHER 14-3-3 SIGMA WITH RELA/P65 BINDING SITE PS45 IN COMPLEX WITH HOMO SAPIENS FUSICOCCANES NATURAL PRODUCTS P65 1433 PEPTIDE BINDING P
Ref.: SELECTIVITY VIA COOPERATIVITY: PREFERENTIAL STABILI THE P65/14-3-3 INTERACTION WITH SEMISYNTHETIC NATUR PRODUCTS. J.AM.CHEM.SOC. V. 142 11772 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6NV2 - 0V4 C27 H44 O8 C[C@@H]1[C....
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 6NV2 - 0V4 C27 H44 O8 C[C@@H]1[C....
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 6NV2 - 0V4 C27 H44 O8 C[C@@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 0V4; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 0V4 1 1
2 5SO 0.651376 0.907407
3 EZ5 0.462121 0.809524
4 FSC 0.416058 0.875
5 1F5 0.40146 0.816667
Similar Ligands (3D)
Ligand no: 1; Ligand: 0V4; 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 : 6NV2; Ligand: 0V4; 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: 6nv2.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6NV2; Ligand: 0V4; 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: 6nv2.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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