Receptor
PDB id Resolution Class Description Source Keywords
1w1g 1.45 Å EC: 2.7.1.37 CRYSTAL STRUCTURE OF THE PDK1 PLECKSTRIN HOMOLOGY (PH) DOMAIN BOUND TO DIC4-PHOSPHATIDYLINOSITOL (3,4,5)- T RISPHOSPHATE HOMO SAPIENS TRANSFERASE PDK1 PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1 PKB PLECKSTRIN HOMOLOGY DOMAIN INOSITOL PHOSPHATE PHOSPHOINOSITIDE SIGNAL TRANSDUCTION PI3-KINASE PIP3 SERINE/THREONINE PROTEIN KINASE
Ref.: STRUCTURAL INSIGHTS INTO THE REGULATION OF PDK1 BY PHOSPHOINOSITIDES AND INOSITOL PHOSPHATES EMBO J. V. 23 3918 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4PT A:1550;
 Valid;
 none;
 Ki = 0.021 uM
716.35 C17 H36 O22 P4 CCC[C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W1G 1.45 Å EC: 2.7.1.37 CRYSTAL STRUCTURE OF THE PDK1 PLECKSTRIN HOMOLOGY (PH) DOMAIN BOUND TO DIC4-PHOSPHATIDYLINOSITOL (3,4,5)- T RISPHOSPHATE HOMO SAPIENS TRANSFERASE PDK1 PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1 PKB PLECKSTRIN HOMOLOGY DOMAIN INOSITOL PHOSPHATE PHOSPHOINOSITIDE SIGNAL TRANSDUCTION PI3-KINASE PIP3 SERINE/THREONINE PROTEIN KINASE
Ref.: STRUCTURAL INSIGHTS INTO THE REGULATION OF PDK1 BY PHOSPHOINOSITIDES AND INOSITOL PHOSPHATES EMBO J. V. 23 3918 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1W1G Ki = 0.021 uM 4PT C17 H36 O22 P4 CCC[C@@H](....
2 1W1D Ki = 0.3 uM 4IP C6 H16 O18 P4 [C@H]1([C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1W1G Ki = 0.021 uM 4PT C17 H36 O22 P4 CCC[C@@H](....
2 1W1D Ki = 0.3 uM 4IP C6 H16 O18 P4 [C@H]1([C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1W1G Ki = 0.021 uM 4PT C17 H36 O22 P4 CCC[C@@H](....
2 1W1D Ki = 0.3 uM 4IP C6 H16 O18 P4 [C@H]1([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4PT; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 4PT 1 1
2 PBU 0.602564 0.9375
3 I35 0.592105 0.957447
4 IP9 0.564706 0.9
5 PIB 0.5625 0.9375
6 5P5 0.5625 0.9375
7 PIZ 0.55814 0.9
8 DB4 0.551282 0.9375
9 3PI 0.536585 0.978723
10 PIO 0.477778 0.882353
11 52N 0.477778 0.882353
12 PIF 0.444444 0.882353
13 PII 0.406593 0.862745
Similar Ligands (3D)
Ligand no: 1; Ligand: 4PT; 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 : 1W1G; Ligand: 4PT; 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: 1w1g.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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