Receptor
PDB id Resolution Class Description Source Keywords
5TWO 1.93 Å NON-ENZYME: SIGNAL_HORMONE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA LIGAND BIND IN COMPLEX WITH A NOVEL SELECTIVELY PPAR GAMMA-MODULATING L5 1 HOMO SAPIENS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA LIGNAD BINDOMAIN SELECTIVE PPAR GAMMA LIGAND VSP-51 DNA BINDING PRTRANSCRIPTION
Ref.: IDENTIFICATION OF A NOVEL SELECTIVE PPAR GAMMA LIGA UNIQUE BINDING MODE AND IMPROVED THERAPEUTIC PROFIL VITRO. SCI REP V. 7 41487 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7MV A:501;
Valid;
none;
submit data
392.853 C23 H18 Cl F N2 O c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5TWO 1.93 Å NON-ENZYME: SIGNAL_HORMONE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA LIGAND BIND IN COMPLEX WITH A NOVEL SELECTIVELY PPAR GAMMA-MODULATING L5 1 HOMO SAPIENS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA LIGNAD BINDOMAIN SELECTIVE PPAR GAMMA LIGAND VSP-51 DNA BINDING PRTRANSCRIPTION
Ref.: IDENTIFICATION OF A NOVEL SELECTIVE PPAR GAMMA LIGA UNIQUE BINDING MODE AND IMPROVED THERAPEUTIC PROFIL VITRO. SCI REP V. 7 41487 2017
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 5TWO - 7MV C23 H18 Cl F N2 O c1ccc(cc1)....
2 6FZJ - EDK C30 H29 N3 O4 CN(CCOc1cc....
3 6FZP - EDK C30 H29 N3 O4 CN(CCOc1cc....
4 6FZF - EDK C30 H29 N3 O4 CN(CCOc1cc....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6K0T - CTU C29 H22 Cl F N4 O3 C/C(=C1/c2....
2 5TWO - 7MV C23 H18 Cl F N2 O c1ccc(cc1)....
3 6FZJ - EDK C30 H29 N3 O4 CN(CCOc1cc....
4 6FZP - EDK C30 H29 N3 O4 CN(CCOc1cc....
5 6FZF - EDK C30 H29 N3 O4 CN(CCOc1cc....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5TWO - 7MV C23 H18 Cl F N2 O c1ccc(cc1)....
2 6FZJ - EDK C30 H29 N3 O4 CN(CCOc1cc....
3 6FZP - EDK C30 H29 N3 O4 CN(CCOc1cc....
4 6FZF - EDK C30 H29 N3 O4 CN(CCOc1cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 7MV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7MV 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 7MV; 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 : 5TWO; Ligand: 7MV; 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: 5two.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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