Receptor
PDB id Resolution Class Description Source Keywords
3O9L 2.4 Å EC: 3.4.23.15 DESIGN AND OPTIMISATION OF NEW PIPERIDINES AS RENIN INHIBITO HOMO SAPIENS HYDROLASE PROTEASE GLYCOSILATION BLOOD HYDROLASE-HYDROLAINHIBITOR COMPLEX
Ref.: DESIGN AND OPTIMIZATION OF NEW PIPERIDINES AS RENIN INHIBITORS. BIOORG.MED.CHEM.LETT. V. 20 6286 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LPN A:168;
C:167;
Valid;
Valid;
none;
none;
ic50 = 0.22 nM
660.07 C35 H41 Cl3 N2 O4 Cc1cc...
NAG A:167;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3O9L 2.4 Å EC: 3.4.23.15 DESIGN AND OPTIMISATION OF NEW PIPERIDINES AS RENIN INHIBITO HOMO SAPIENS HYDROLASE PROTEASE GLYCOSILATION BLOOD HYDROLASE-HYDROLAINHIBITOR COMPLEX
Ref.: DESIGN AND OPTIMIZATION OF NEW PIPERIDINES AS RENIN INHIBITORS. BIOORG.MED.CHEM.LETT. V. 20 6286 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3O9L ic50 = 0.22 nM LPN C35 H41 Cl3 N2 O4 Cc1cc(c(c(....
2 3OAG ic50 = 0.56 nM LPQ C34 H39 Cl3 N4 O3 Cc1cc(c(c(....
3 3OAD ic50 = 0.24 nM LPO C33 H38 Cl3 N3 O5 Cc1cc(c(c(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3O9L ic50 = 0.22 nM LPN C35 H41 Cl3 N2 O4 Cc1cc(c(c(....
2 3OAG ic50 = 0.56 nM LPQ C34 H39 Cl3 N4 O3 Cc1cc(c(c(....
3 3OAD ic50 = 0.24 nM LPO C33 H38 Cl3 N3 O5 Cc1cc(c(c(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3O9L ic50 = 0.22 nM LPN C35 H41 Cl3 N2 O4 Cc1cc(c(c(....
2 3OAG ic50 = 0.56 nM LPQ C34 H39 Cl3 N4 O3 Cc1cc(c(c(....
3 3OAD ic50 = 0.24 nM LPO C33 H38 Cl3 N3 O5 Cc1cc(c(c(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LPN; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 LPN 1 1
2 LPQ 0.604839 0.880597
3 LPO 0.496183 0.851351
Similar Ligands (3D)
Ligand no: 1; Ligand: LPN; 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 : 3O9L; Ligand: LPN; 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: 3o9l.bio2) has 51 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3O9L; Ligand: LPN; 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: 3o9l.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
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