Receptor
PDB id Resolution Class Description Source Keywords
6ONJ 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF PPARGAMMA LIGAND BINDING DOMAIN IN COMP TRAP220 PEPTIDE AND AGONIST ROSIGLITAZONE HOMO SAPIENS NUCLEAR RECEPTORS TZDS DRUG DESIGN THERAPEUTIC TARGETS TRANSCRIPTION TRANSCRIPTION-AGONIST COMPLEX
Ref.: A MOLECULAR SWITCH REGULATING TRANSCRIPTIONAL REPRE ACTIVATION OF PPAR GAMMA. NAT COMMUN V. 11 956 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BRL A:501;
 Valid;
 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
6ONJ 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF PPARGAMMA LIGAND BINDING DOMAIN IN COMP TRAP220 PEPTIDE AND AGONIST ROSIGLITAZONE HOMO SAPIENS NUCLEAR RECEPTORS TZDS DRUG DESIGN THERAPEUTIC TARGETS TRANSCRIPTION TRANSCRIPTION-AGONIST COMPLEX
Ref.: A MOLECULAR SWITCH REGULATING TRANSCRIPTIONAL REPRE ACTIVATION OF PPAR GAMMA. NAT COMMUN V. 11 956 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 6ONJ - 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 266 families.
1 6ONJ - 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 220 families.
1 6ONJ - 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 : 6ONJ; Ligand: BRL; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 6onj.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3SP6 IL2 None
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