Receptor
PDB id Resolution Class Description Source Keywords
1FGY 1.5 Å NON-ENZYME: SIGNAL_HORMONE GRP1 PH DOMAIN WITH INS(1,3,4,5)P4 MUS MUSCULUS PH DOMAIN SIGNALING PROTEIN
Ref.: STRUCTURAL BASIS OF 3-PHOSPHOINOSITIDE RECOGNITION BY PLECKSTRIN HOMOLOGY DOMAINS. MOL.CELL V. 6 385 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4IP A:1101;
 Valid;
 none;
 submit data
500.075 C6 H16 O18 P4 [C@H]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FHW 1.9 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN FROM GRP1 IN COM INOSITOL(1,3,4,5,6)PENTAKISPHOSPHATE MUS MUSCULUS PLECKSTRIN 3-PHOSPHOINOSITIDES INOSITOL TETRAKISPHOSPHATE TRANSDUCTION PROTEIN GUANINE NUCLEOTIDE EXCHANGE FACTOR SPROTEIN
Ref.: STRUCTURAL BASIS FOR DISCRIMINATION OF 3-PHOSPHOINO BY PLECKSTRIN HOMOLOGY DOMAINS MOL.CELL V. 6 373 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1FHW Kd = 0.33 uM I5P C6 H17 O21 P5 C1([C@@H](....
2 1FGY - 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 426 families.
1 1U27 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1U29 - I3P C6 H15 O15 P3 [C@H]1([C@....
3 1FHW Kd = 0.33 uM I5P C6 H17 O21 P5 C1([C@@H](....
4 1FGY - 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 322 families.
1 1U27 - 4IP C6 H16 O18 P4 [C@H]1([C@....
2 1U29 - I3P C6 H15 O15 P3 [C@H]1([C@....
3 1FHW Kd = 0.33 uM I5P C6 H17 O21 P5 C1([C@@H](....
4 1FGY - 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 : 1FHW; Ligand: I5P; 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: 1fhw.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1FHW; Ligand: I5P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1fhw.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1FHW; Ligand: I5P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1fhw.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1FHW; Ligand: I5P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1fhw.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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