Receptor
PDB id Resolution Class Description Source Keywords
1XM4 2.31 Å EC: 3.1.4.17 CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B IN COMPLEX WI PICLAMILAST HOMO SAPIENS PDE4B PICLAMILAST HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE ACTIVITY OF DRUGS THAT INH PHOSPHODIESTERASES. STRUCTURE V. 12 2233 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1002;
B:1002;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
PIL A:1003;
B:1003;
 Valid;
Valid;
 none;
none;
 ic50 = 0.041 nM
381.253 C18 H18 Cl2 N2 O3 COc1c...
ZN A:1001;
B:1001;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XM4 2.31 Å EC: 3.1.4.17 CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B IN COMPLEX WI PICLAMILAST HOMO SAPIENS PDE4B PICLAMILAST HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE ACTIVITY OF DRUGS THAT INH PHOSPHODIESTERASES. STRUCTURE V. 12 2233 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1XM4 ic50 = 0.041 nM PIL C18 H18 Cl2 N2 O3 COc1ccc(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1XM4 ic50 = 0.041 nM PIL C18 H18 Cl2 N2 O3 COc1ccc(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1XM4 ic50 = 0.041 nM PIL C18 H18 Cl2 N2 O3 COc1ccc(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PIL; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PIL 1 1
2 3GJ 0.505747 0.709677
3 ROF 0.476744 0.773585
Similar Ligands (3D)
Ligand no: 1; Ligand: PIL; Similar ligands found: 9
No: Ligand Similarity coefficient
1 0X5 0.8713
2 YL3 0.8671
3 UT4 0.8660
4 9ZS 0.8652
5 CIO 0.8632
6 B5T 0.8628
7 A6V 0.8624
8 R3S 0.8616
9 LI3 0.8583
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XM4; Ligand: PIL; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 1xm4.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5G57 6M5 42.7778
2 5G57 6M5 42.7778
3 4Y2B EPK 43.4447
Pocket No.: 2; Query (leader) PDB : 1XM4; Ligand: PIL; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 1xm4.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5G57 6M5 42.7778
2 4Y2B EPK 43.4447
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