Receptor
PDB id Resolution Class Description Source Keywords
4Z2B 1.8 Å EC: 3.1.4.- THE STRUCTURE OF HUMAN PDE12 RESIDUES 161-609 IN COMPLEX WIT GSK3036342A HOMO SAPIENS PDE12 2-prime -5-prime A EEP NUCLEASE INHIBITOR COMPLEX HYDROLASE-HYDROINHIBITOR COMPLEX
Ref.: THE ROLE OF PHOSPHODIESTERASE 12 (PDE12) AS A NEGAT REGULATOR OF THE INNATE IMMUNE RESPONSE AND THE DIS ANTIVIRAL INHIBITORS. J.BIOL.CHEM. V. 290 19681 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:706;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
EDO A:702;
A:703;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
TRS A:704;
 Invalid;
 none;
 submit data
122.143 C4 H12 N O3 C(C(C...
SO4 A:701;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
4LC A:705;
 Valid;
 none;
 Ki = 17.5 nM
491.541 C29 H25 N5 O3 Cn1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4Z2B 1.8 Å EC: 3.1.4.- THE STRUCTURE OF HUMAN PDE12 RESIDUES 161-609 IN COMPLEX WIT GSK3036342A HOMO SAPIENS PDE12 2-prime -5-prime A EEP NUCLEASE INHIBITOR COMPLEX HYDROLASE-HYDROINHIBITOR COMPLEX
Ref.: THE ROLE OF PHOSPHODIESTERASE 12 (PDE12) AS A NEGAT REGULATOR OF THE INNATE IMMUNE RESPONSE AND THE DIS ANTIVIRAL INHIBITORS. J.BIOL.CHEM. V. 290 19681 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4Z2B Ki = 17.5 nM 4LC C29 H25 N5 O3 Cn1c2cc(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 4Z2B Ki = 17.5 nM 4LC C29 H25 N5 O3 Cn1c2cc(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 4Z2B Ki = 17.5 nM 4LC C29 H25 N5 O3 Cn1c2cc(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4LC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4LC 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4LC; 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 : 4Z2B; Ligand: 4LC; 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: 4z2b.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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