Receptor
PDB id Resolution Class Description Source Keywords
1SO2 2.4 Å EC: 3.1.4.17 CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B IN COMPLEX WITH A DIHYDROPYRIDAZINE INHIBITOR HOMO SAPIENS PDE3B PHOSPHODIESTERASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 3B: ATOMIC BASIS FOR SUBSTRATE AND INHIBITOR SPECIFICITY BIOCHEMISTRY V. 43 6091 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
666 A:461;
B:462;
C:463;
D:464;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 0.27 nM
513.371 C24 H24 I N3 O2 C[C@@...
HG9 A:453;
A:454;
B:451;
B:452;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
365.462 C17 H35 N O7 CCCCC...
MG A:471;
A:472;
A:479;
B:473;
B:474;
C:475;
C:476;
D:477;
D:478;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SO2 2.4 Å EC: 3.1.4.17 CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B IN COMPLEX WITH A DIHYDROPYRIDAZINE INHIBITOR HOMO SAPIENS PDE3B PHOSPHODIESTERASE HYDROLASE
Ref.: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 3B: ATOMIC BASIS FOR SUBSTRATE AND INHIBITOR SPECIFICITY BIOCHEMISTRY V. 43 6091 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 1SO2 ic50 = 0.27 nM 666 C24 H24 I N3 O2 C[C@@H]1CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1SO2 ic50 = 0.27 nM 666 C24 H24 I N3 O2 C[C@@H]1CC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1SO2 ic50 = 0.27 nM 666 C24 H24 I N3 O2 C[C@@H]1CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 666; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 666 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SO2; Ligand: 666; 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: 1so2.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1SO2; Ligand: 666; 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: 1so2.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SO2; Ligand: 666; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1so2.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1SO2; Ligand: 666; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1so2.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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