Receptor
PDB id Resolution Class Description Source Keywords
6YGJ 2.07 Å NON-ENZYME: OTHER SMALL-MOLECULE STABILIZER OF 14-3-3 AND THE CARBOHYDRATE RES ELEMENT BINDING PROTEIN (CHREBP) PROTEIN-PROTEIN INTERACTIO HOMO SAPIENS 14-3-3 STABILIZER PROTEIN-PROTEIN INTERACTION CHREBP SMAMOLECULE STRUCTURAL PROTEIN
Ref.: STRUCTURE-BASED EVOLUTION OF A PROMISCUOUS INHIBITO SELECTIVE STABILIZER OF PROTEIN-PROTEIN INTERACTION NAT COMMUN V. 11 3954 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OQE A:301;
F:301;
 Valid;
Valid;
 none;
none;
 submit data
335.292 C16 H18 N O5 P c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6YGJ 2.07 Å NON-ENZYME: OTHER SMALL-MOLECULE STABILIZER OF 14-3-3 AND THE CARBOHYDRATE RES ELEMENT BINDING PROTEIN (CHREBP) PROTEIN-PROTEIN INTERACTIO HOMO SAPIENS 14-3-3 STABILIZER PROTEIN-PROTEIN INTERACTION CHREBP SMAMOLECULE STRUCTURAL PROTEIN
Ref.: STRUCTURE-BASED EVOLUTION OF A PROMISCUOUS INHIBITO SELECTIVE STABILIZER OF PROTEIN-PROTEIN INTERACTION NAT COMMUN V. 11 3954 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 6YGJ - OQE C16 H18 N O5 P c1ccc(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 6YGJ - OQE C16 H18 N O5 P c1ccc(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 6YGJ - OQE C16 H18 N O5 P c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OQE; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 OQE 1 1
2 Y04 0.522388 0.8
3 Y03 0.521739 0.8
4 0KC 0.5 0.830508
5 0KG 0.492754 0.862069
6 0KH 0.479452 0.8
7 0KB 0.466667 0.813559
8 Y06 0.465753 0.8
9 Y09 0.453333 0.830508
10 Y07 0.43038 0.786885
Similar Ligands (3D)
Ligand no: 1; Ligand: OQE; 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 : 6YGJ; Ligand: OQE; 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: 6ygj.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6YGJ; Ligand: OQE; 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: 6ygj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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