Receptor
PDB id Resolution Class Description Source Keywords
5DQY 1.4 Å NON-ENZYME: OTHER A FULLY OXIDIZED HUMAN THIOREDOXIN HOMO SAPIENS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF FULLY OXIDIZED HUMAN THIOREDOX BIOCHEM.BIOPHYS.RES.COMMUN. V. 467 218 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:403;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
BEZ A:401;
Valid;
none;
submit data
122.121 C7 H6 O2 c1ccc...
CL A:402;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DQY 1.4 Å NON-ENZYME: OTHER A FULLY OXIDIZED HUMAN THIOREDOXIN HOMO SAPIENS OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF FULLY OXIDIZED HUMAN THIOREDOX BIOCHEM.BIOPHYS.RES.COMMUN. V. 467 218 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5DQY - BEZ C7 H6 O2 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 1205 families.
1 5DQY - BEZ C7 H6 O2 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 1039 families.
1 5DQY - BEZ C7 H6 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BEZ; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 BEZ 1 1
2 8OZ 0.517241 0.625
3 8G0 0.481481 0.714286
4 1Y6 0.464286 0.666667
5 NIO 0.433333 0.625
6 PHB 0.428571 0.625
7 PHT 0.423077 0.625
8 3HB 0.419355 0.625
9 MBO 0.413793 0.769231
10 4MA 0.413793 0.909091
11 Z82 0.413793 0.666667
12 174 0.413793 0.666667
13 3BZ 0.40625 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DQY; Ligand: BEZ; 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: 5dqy.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5DQY; Ligand: BEZ; 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: 5dqy.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5DQY; Ligand: BEZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5dqy.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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