Receptor
PDB id Resolution Class Description Source Keywords
1FAO 1.8 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM DAPP1/PHISH IN COMPLEX WITH INOSITOL 1,3,4,5- T ETRAKISPHOSPHATE HOMO SAPIENS PLECKSTRIN 3-PHOSPHOINOSITIDES INOSITOL TETRAKISPHOSPHATE SIGNAL TRANSDUCTION PROTEIN ADAPTOR PROTEIN SIGNALING PROTEIN
Ref.: STRUCTURAL BASIS FOR DISCRIMINATION OF 3-PHOSPHOINOSITIDES BY PLECKSTRIN HOMOLOGY DOMAINS. MOL.CELL V. 6 373 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4IP A:274;
 Valid;
 none;
 Kd = 0.043 uM
500.075 C6 H16 O18 P4 [C@H]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FAO 1.8 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM DAPP1/PHISH IN COMPLEX WITH INOSITOL 1,3,4,5- T ETRAKISPHOSPHATE HOMO SAPIENS PLECKSTRIN 3-PHOSPHOINOSITIDES INOSITOL TETRAKISPHOSPHATE SIGNAL TRANSDUCTION PROTEIN ADAPTOR PROTEIN SIGNALING PROTEIN
Ref.: STRUCTURAL BASIS FOR DISCRIMINATION OF 3-PHOSPHOINOSITIDES BY PLECKSTRIN HOMOLOGY DOMAINS. MOL.CELL V. 6 373 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1FAO Kd = 0.043 uM 4IP C6 H16 O18 P4 [C@H]1([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 1FAO Kd = 0.043 uM 4IP C6 H16 O18 P4 [C@H]1([C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 1FAO Kd = 0.043 uM 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 : 1FAO; Ligand: 4IP; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 1fao.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4KAX 4IP 31.746
2 2R0D 4IP 31.746
3 2R09 4IP 31.746
4 2R0D 4IP 31.746
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