Receptor
PDB id Resolution Class Description Source Keywords
3BL9 1.8 Å EC: 3.-.-.- SYNTHETIC GENE ENCODED DCPS BOUND TO INHIBITOR DG157493 HOMO SAPIENS MRNA DECAPPING ENZYME DCPS LIGAND COMPLEX CYTOPLASM HYDRNONSENSE-MEDIATED MRNA DECAY NUCLEUS POLYMORPHISM STRUCTGENOMICS PSI-2 PROTEIN STRUCTURE INITIATIVE ACCELERATED TECHNOLOGIES CENTER FOR GENE TO 3D STRUCTURE ATCG3D
Ref.: DCPS AS A THERAPEUTIC TARGET FOR SPINAL MUSCULAR AT ACS CHEM.BIOL. V. 3 711 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DD2 A:901;
 Valid;
 none;
 ic50 = 43.94 nM
432.346 C21 H23 Cl2 N5 O c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BL7 2.31 Å EC: 3.-.-.- SYNTHETIC GENE ENCODED DCPS BOUND TO INHIBITOR DG156844 HOMO SAPIENS MRNA DECAPPING ENZYME DCPS LIGAND COMPLEX CYTOPLASM HYDROLASE NONSENSE-MEDIATED MRNA DECAY NUCLEUS POLYMORPHISM STRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTUREINITIATIVE ACCELERATED TECHNOLOGIES CENTER FOR GENE TO 3D STRUCTURE ATCG3D
Ref.: DCPS AS A THERAPEUTIC TARGET FOR SPINAL MUSCULAR ATROPHY. ACS CHEM.BIOL. V. 3 711 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 3BL9 ic50 = 43.94 nM DD2 C21 H23 Cl2 N5 O c1cc(c(c(c....
2 3BL7 ic50 = 7.62 nM DD1 C21 H24 F N5 O c1ccc(c(c1....
3 5OSY ic50 = 0.0447 uM AJQ C21 H30 N10 O15 P3 S3 C[n+]1cn(c....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 3BL9 ic50 = 43.94 nM DD2 C21 H23 Cl2 N5 O c1cc(c(c(c....
2 3BL7 ic50 = 7.62 nM DD1 C21 H24 F N5 O c1ccc(c(c1....
3 5OSY ic50 = 0.0447 uM AJQ C21 H30 N10 O15 P3 S3 C[n+]1cn(c....
4 1XMM - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
5 1ST4 - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
6 1ST0 - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 3BL9 ic50 = 43.94 nM DD2 C21 H23 Cl2 N5 O c1cc(c(c(c....
2 3BL7 ic50 = 7.62 nM DD1 C21 H24 F N5 O c1ccc(c(c1....
3 5OSY ic50 = 0.0447 uM AJQ C21 H30 N10 O15 P3 S3 C[n+]1cn(c....
4 1XMM - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
5 1ST4 - GTA C21 H30 N10 O17 P3 C[n+]1cn(c....
6 1ST0 - GTG C21 H30 N10 O18 P3 C[n+]1cn(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DD2; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 DD2 1 1
2 DD1 0.678161 0.966102
Similar Ligands (3D)
Ligand no: 1; Ligand: DD2; 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 : 3BL7; Ligand: DD1; 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: 3bl7.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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