Receptor
PDB id Resolution Class Description Source Keywords
2PX6 2.3 Å EC: 2.3.1.85 CRYSTAL STRUCTURE OF THE THIOESTERASE DOMAIN OF HUMAN FATTY ACID SYNTHASE INHIBITED BY ORLISTAT HOMO SAPIENS THIOESATERSE DOMAIN ORLISTAT FATTY ACID SYNTHASE DRUG COMPLEX TETRAHYDROLIPSTATIN TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE THIOESTERASE DOMAIN OF HUMAN FATTY ACID SYNTHASE INHIBITED BY ORLISTAT. NAT.STRUCT.MOL.BIOL. V. 14 704 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DH9 A:3000;
B:61;
Valid;
Valid;
none;
none;
submit data
513.75 C29 H55 N O6 CCCCC...
DTT B:71;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PX6 2.3 Å EC: 2.3.1.85 CRYSTAL STRUCTURE OF THE THIOESTERASE DOMAIN OF HUMAN FATTY ACID SYNTHASE INHIBITED BY ORLISTAT HOMO SAPIENS THIOESATERSE DOMAIN ORLISTAT FATTY ACID SYNTHASE DRUG COMPLEX TETRAHYDROLIPSTATIN TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE THIOESTERASE DOMAIN OF HUMAN FATTY ACID SYNTHASE INHIBITED BY ORLISTAT. NAT.STRUCT.MOL.BIOL. V. 14 704 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2PX6 - DH9 C29 H55 N O6 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2PX6 - DH9 C29 H55 N O6 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2PX6 - DH9 C29 H55 N O6 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DH9; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DH9 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PX6; Ligand: DH9; 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: 2px6.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2PX6; Ligand: DH9; 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: 2px6.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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