Receptor
PDB id Resolution Class Description Source Keywords
5unj 1.96 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF HUMAN LIVER RECEPTOR HOMOLOG 1 IN COMPLEX WITH RJW100 HOMO SAPIENS NUCLEAR RECEPTOR AGONIST COREGULATOR NUCLEAR PROTEIN
Ref.: STRUCTURE AND DYNAMICS OF THE LIVER RECEPTOR HOMOLO ALPHA COMPLEX. MOL. PHARMACOL. V. 92 1 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RJW A:601;
 Valid;
 none;
 Kd = 0.24 uM
386.569 C28 H34 O CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5UNJ 1.96 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF HUMAN LIVER RECEPTOR HOMOLOG 1 IN COMPLEX WITH RJW100 HOMO SAPIENS NUCLEAR RECEPTOR AGONIST COREGULATOR NUCLEAR PROTEIN
Ref.: STRUCTURE AND DYNAMICS OF THE LIVER RECEPTOR HOMOLO ALPHA COMPLEX. MOL. PHARMACOL. V. 92 1 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 5UNJ Kd = 0.24 uM RJW C28 H34 O CCCCCCC1=C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 5UNJ Kd = 0.24 uM RJW C28 H34 O CCCCCCC1=C....
2 4QJR Kd = 80 nM PIZ C41 H82 O22 P4 CCCCCCCCCC....
3 3F7D - P42 C42 H88 N O8 P CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 5UNJ Kd = 0.24 uM RJW C28 H34 O CCCCCCC1=C....
2 4QJR Kd = 80 nM PIZ C41 H82 O22 P4 CCCCCCCCCC....
3 3F7D - P42 C42 H88 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RJW; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 QU7 1 1
2 RJW 1 1
3 71W 1 1
4 N27 0.647059 0.68
Similar Ligands (3D)
Ligand no: 1; Ligand: RJW; Similar ligands found: 1
No: Ligand Similarity coefficient
1 N1V 0.8660
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5UNJ; Ligand: RJW; 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: 5unj.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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