Receptor
PDB id Resolution Class Description Source Keywords
3G9E 2.3 Å EC: 2.3.1.48 ALEGLITAAR. A NEW. POTENT, AND BALANCED DUAL PPARA/G AGONIST FOR THE TREATMENT OF TYPE II DIABETES HOMO SAPIENS NUCLEAR RECEPTOR TRANSCRIPTION FACTOR DIABETES ACTIVATORALTERNATIVE SPLICING DIABETES MELLITUS DISEASE MUTATION DNA-BINDING METAL-BINDING NUCLEUS OBESITY PHOSPHOPROTEIN POLYMORPHISM RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER ACYLTRANSFERASE CHROMOSOMAL REARRANGEMENT PROTO-ONCOGENETRANSFERASE UBL CONJUGATION TRANSCRIPTION/TRANSFERASE COMPLEX
Ref.: ALEGLITAZAR, A NEW, POTENT, AND BALANCED DUAL PPARALPHA/GAMMA AGONIST FOR THE TREATMENT OF TYPE II DIABETES. BIOORG.MED.CHEM.LETT. V. 19 2468 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RO7 A:1;
Valid;
none;
ic50 = 0.019 uM
437.508 C24 H23 N O5 S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3G9E 2.3 Å EC: 2.3.1.48 ALEGLITAAR. A NEW. POTENT, AND BALANCED DUAL PPARA/G AGONIST FOR THE TREATMENT OF TYPE II DIABETES HOMO SAPIENS NUCLEAR RECEPTOR TRANSCRIPTION FACTOR DIABETES ACTIVATORALTERNATIVE SPLICING DIABETES MELLITUS DISEASE MUTATION DNA-BINDING METAL-BINDING NUCLEUS OBESITY PHOSPHOPROTEIN POLYMORPHISM RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER ACYLTRANSFERASE CHROMOSOMAL REARRANGEMENT PROTO-ONCOGENETRANSFERASE UBL CONJUGATION TRANSCRIPTION/TRANSFERASE COMPLEX
Ref.: ALEGLITAZAR, A NEW, POTENT, AND BALANCED DUAL PPARALPHA/GAMMA AGONIST FOR THE TREATMENT OF TYPE II DIABETES. BIOORG.MED.CHEM.LETT. V. 19 2468 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 47 families.
1 3G9E ic50 = 0.019 uM RO7 C24 H23 N O5 S Cc1c(nc(o1....
2 2FVJ - RO0 C33 H38 N2 O5 COc1ccccc1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 3G9E ic50 = 0.019 uM RO7 C24 H23 N O5 S Cc1c(nc(o1....
2 2FVJ - RO0 C33 H38 N2 O5 COc1ccccc1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3G9E ic50 = 0.019 uM RO7 C24 H23 N O5 S Cc1c(nc(o1....
2 2FVJ - RO0 C33 H38 N2 O5 COc1ccccc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RO7; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 RO7 1 1
2 8A7 0.609524 0.790323
3 544 0.4 0.734375
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3G9E; Ligand: RO7; 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: 3g9e.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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