Receptor
PDB id Resolution Class Description Source Keywords
3L0E 2.3 Å NON-ENZYME: SIGNAL_HORMONE X-RAY CRYSTAL STRUCTURE OF A POTENT LIVER X RECEPTOR MODULAT HOMO SAPIENS HLXR-BETA HUMAN LIVER X RECEPTOR-BETA SULFONAMIDE MODULATOBINDING METAL-BINDING NUCLEUS RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC-FINGER ACTIVATOR PHOSPHOPR
Ref.: DISCOVERY OF TERTIARY SULFONAMIDES AS POTENT LIVER RECEPTOR ANTAGONISTS. J.MED.CHEM. V. 53 3412 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G58 A:1;
 Valid;
 none;
 ic50 = 10 nM
548.049 C25 H23 Cl F N3 O4 S2 Cn1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L0E 2.3 Å NON-ENZYME: SIGNAL_HORMONE X-RAY CRYSTAL STRUCTURE OF A POTENT LIVER X RECEPTOR MODULAT HOMO SAPIENS HLXR-BETA HUMAN LIVER X RECEPTOR-BETA SULFONAMIDE MODULATOBINDING METAL-BINDING NUCLEUS RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC-FINGER ACTIVATOR PHOSPHOPR
Ref.: DISCOVERY OF TERTIARY SULFONAMIDES AS POTENT LIVER RECEPTOR ANTAGONISTS. J.MED.CHEM. V. 53 3412 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 3L0E ic50 = 10 nM G58 C25 H23 Cl F N3 O4 S2 Cn1cc(nc1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 4DK7 ic50 = 0.02 uM 0KS C16 H13 F6 N O3 S CN(c1ccc(c....
2 3L0E ic50 = 10 nM G58 C25 H23 Cl F N3 O4 S2 Cn1cc(nc1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 4DK7 ic50 = 0.02 uM 0KS C16 H13 F6 N O3 S CN(c1ccc(c....
2 3L0E ic50 = 10 nM G58 C25 H23 Cl F N3 O4 S2 Cn1cc(nc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G58; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 G58 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: G58; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L0E; Ligand: G58; 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: 3l0e.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3L0E; Ligand: G58; 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: 3l0e.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3L0E; Ligand: G58; 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: 3l0e.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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