Receptor
PDB id Resolution Class Description Source Keywords
1RDT 2.4 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A NEW REXINOID BOUND TO THE RXRALPHA LIGAND BINDING DOAMIN IN THE RXRALPHA/PPARGAMMA HETERODIMER HOMO SAPIENS HORMONE RECEPTOR POLYMORPHISM HORMONE/GROWTH FACTOR COMPLEX
Ref.: STRUCTURE-BASED DESIGN OF POTENT RETINOID X RECEPTOR ALPHA AGONISTS. J.MED.CHEM. V. 47 2010 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
570 D:478;
Valid;
none;
submit data
546.612 C34 H30 N2 O5 Cc1c(...
L79 A:463;
Valid;
none;
Ki = 6 nM
378.504 C25 H30 O3 CC1(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RDT 2.4 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF A NEW REXINOID BOUND TO THE RXRALPHA LIGAND BINDING DOAMIN IN THE RXRALPHA/PPARGAMMA HETERODIMER HOMO SAPIENS HORMONE RECEPTOR POLYMORPHISM HORMONE/GROWTH FACTOR COMPLEX
Ref.: STRUCTURE-BASED DESIGN OF POTENT RETINOID X RECEPTOR ALPHA AGONISTS. J.MED.CHEM. V. 47 2010 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 1RDT Ki = 6 nM L79 C25 H30 O3 CC1(CCC(c2....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1RDT Ki = 6 nM L79 C25 H30 O3 CC1(CCC(c2....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 1RDT Ki = 6 nM L79 C25 H30 O3 CC1(CCC(c2....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 570; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 570 1 1
2 GW4 0.733333 0.883333
3 544 0.657143 0.898305
4 MMB 0.40678 0.701493
Ligand no: 2; Ligand: L79; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 L79 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RDT; Ligand: 570; 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: 1rdt.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1RDT; Ligand: L79; 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: 1rdt.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback