Receptor
PDB id Resolution Class Description Source Keywords
2PRG 2.3 Å EC: 2.3.1.48 LIGAND-BINDING DOMAIN OF THE HUMAN PEROXISOME PROLIFERATOR A RECEPTOR GAMMA HOMO SAPIENS COMPLEX (THIAZOLIDINEDIONE-RECEPTOR) LIGAND-BINDING DOMAINRECEPTOR APO TRANSCRIPTION FACTOR ORPHAN RECEPTOR COMPL(THIAZOLIDINEDIONE-RECEPTOR) COMPLEX
Ref.: LIGAND BINDING AND CO-ACTIVATOR ASSEMBLY OF THE PER PROLIFERATOR-ACTIVATED RECEPTOR-GAMMA. NATURE V. 395 137 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BRL A:1;
B:2;
 Valid;
Valid;
 none;
none;
 submit data
357.427 C18 H19 N3 O3 S CN(CC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PRG 2.3 Å EC: 2.3.1.48 LIGAND-BINDING DOMAIN OF THE HUMAN PEROXISOME PROLIFERATOR A RECEPTOR GAMMA HOMO SAPIENS COMPLEX (THIAZOLIDINEDIONE-RECEPTOR) LIGAND-BINDING DOMAINRECEPTOR APO TRANSCRIPTION FACTOR ORPHAN RECEPTOR COMPL(THIAZOLIDINEDIONE-RECEPTOR) COMPLEX
Ref.: LIGAND BINDING AND CO-ACTIVATOR ASSEMBLY OF THE PER PROLIFERATOR-ACTIVATED RECEPTOR-GAMMA. NATURE V. 395 137 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 2PRG - BRL C18 H19 N3 O3 S CN(CCOc1cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 2PRG - BRL C18 H19 N3 O3 S CN(CCOc1cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 2PRG - BRL C18 H19 N3 O3 S CN(CCOc1cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BRL; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 RGZ 1 1
2 BRL 1 1
3 8LX 0.595506 0.925373
4 8N6 0.5 0.765625
5 P1B 0.5 0.765625
6 GFV 0.466667 0.742424
Similar Ligands (3D)
Ligand no: 1; Ligand: BRL; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GDY 0.9155
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PRG; Ligand: BRL; 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: 2prg.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2PRG; Ligand: BRL; 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: 2prg.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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