Receptor
PDB id Resolution Class Description Source Keywords
6AD9 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF PPARGAMMA LIGAND BINDING DOMAIN IN COMP DIBENZOOXEPINE DERIVATIVE COMPOUND-9 HOMO SAPIENS PPARGAMMA LIGAND BINDING DOMAIN AGONIST NUCLEAR PROTEIN
Ref.: DEVELOPMENT OF DIHYDRODIBENZOOXEPINE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) GAMMA LIGAND NOVEL BINDING MODE AS ANTICANCER AGENTS: EFFECTIVE OF CHIRAL STRUCTURES BY OLEFINIC E/ Z-ISOMERS. J. MED. CHEM. V. 61 10067 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KK4 A:501;
Valid;
none;
submit data
492.568 C30 H28 N4 O3 CCCc1...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6AD9 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF PPARGAMMA LIGAND BINDING DOMAIN IN COMP DIBENZOOXEPINE DERIVATIVE COMPOUND-9 HOMO SAPIENS PPARGAMMA LIGAND BINDING DOMAIN AGONIST NUCLEAR PROTEIN
Ref.: DEVELOPMENT OF DIHYDRODIBENZOOXEPINE PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) GAMMA LIGAND NOVEL BINDING MODE AS ANTICANCER AGENTS: EFFECTIVE OF CHIRAL STRUCTURES BY OLEFINIC E/ Z-ISOMERS. J. MED. CHEM. V. 61 10067 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 6AD9 - KK4 C30 H28 N4 O3 CCCc1nc2c(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 6AD9 - KK4 C30 H28 N4 O3 CCCc1nc2c(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 6AD9 - KK4 C30 H28 N4 O3 CCCc1nc2c(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: KK4; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 KK4 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: KK4; Similar ligands found: 1
No: Ligand Similarity coefficient
1 CTU 0.9617
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6AD9; Ligand: KK4; 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: 6ad9.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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