Receptor
PDB id Resolution Class Description Source Keywords
1H10 1.4 Å EC: 2.7.1.- HIGH RESOLUTION STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN KINASE B/AKT BOUND TO INS(1,3,4,5)-TETRAKISPHOPHATE HOMO SAPIENS TRANSFERASE SIGNALLING PROTEIN PHOSPHOINOSITIDES PROTEIN PLECKSTRIN INOSITOL TETRAKISPHOPHATE PHOSPHORYLATION SERINE/THREONINE PROTEIN KINASE
Ref.: HIGH RESOLUTION STRUCTURE OF THE PLECKSTRIN HOMOLOG OF PROTEIN KINASE B/AKT BOUND TO PHOSPHATIDYLINOSIT (3,4,5)-TRISPHOSPHATE CURR.BIOL. V. 12 1256 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4IP A:1118;
 Valid;
 none;
 submit data
500.075 C6 H16 O18 P4 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UNQ 0.98 Å EC: 2.7.1.- HIGH RESOLUTION CRYSTAL STRUCTURE OF THE PLECKSTRIN HOMOLOGY PROTEIN KINASE B/AKT BOUND TO INS(1,3,4,5)-TETRAKISPHOPHATE HOMO SAPIENS TRANSFERASE PLECKSTRIN HOMOLOGY DOMAIN PKB AKT PHOSPHOINSERINE/THREONINE-PROTEIN KINASE ATP-BINDING PHOSPHORYLATINUCLEAR PROTEIN
Ref.: BINDING OF PHOSPHATIDYLINOSITOL 3,4,5-TRISPHOSPHATE PLECKSTRIN HOMOLOGY DOMAIN OF PROTEIN KINASE B INDU CONFORMATIONAL CHANGE. BIOCHEM. J. V. 375 531 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1H10 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1UNQ - 4IP C6 H16 O18 P4 [C@H]1([C@....
3 2UVM - GVF C6 H10 O16 P4 c1cc(c(c(c....
4 2UZS - 4IP C6 H16 O18 P4 [C@H]1([C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1H10 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1UNQ - 4IP C6 H16 O18 P4 [C@H]1([C@....
3 2UVM - GVF C6 H10 O16 P4 c1cc(c(c(c....
4 2UZS - 4IP C6 H16 O18 P4 [C@H]1([C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1H10 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1UNQ - 4IP C6 H16 O18 P4 [C@H]1([C@....
3 2UVM - GVF C6 H10 O16 P4 c1cc(c(c(c....
4 2UZS - 4IP C6 H16 O18 P4 [C@H]1([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4IP; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 4IP 1 1
2 I3P 0.724138 0.966667
3 I3S 0.724138 0.966667
4 IP5 0.714286 0.965517
5 5IP 0.714286 0.965517
6 5MY 0.714286 0.965517
7 I5P 0.714286 0.965517
8 I4P 0.653846 0.965517
9 I0P 0.62069 0.933333
10 ITP 0.6 0.966667
11 2IP 0.571429 0.966667
12 IHP 0.538462 0.965517
13 I6P 0.538462 0.965517
14 IP2 0.533333 0.966667
15 I4D 0.516129 0.933333
Similar Ligands (3D)
Ligand no: 1; Ligand: 4IP; 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 : 1UNQ; Ligand: 4IP; 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: 1unq.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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