Receptor
PDB id Resolution Class Description Source Keywords
2P0H 1.9 Å NON-ENZYME: BINDING ARHGAP9 PH DOMAIN IN COMPLEX WITH INS(1,3,4)P3 HOMO SAPIENS PROTEIN-PHOSPHOINOSITIDE COMPLEX PLECKSTRIN HOMOLOGY DOMAIN LIGAND BINDING PROTEIN
Ref.: NON-CANONICAL INTERACTION OF PHOSPHOINOSITIDES WITH PLECKSTRIN HOMOLOGY DOMAINS OF TIAM1 AND ARHGAP9. J.BIOL.CHEM. V. 282 13864 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
I3S A:101;
Valid;
none;
submit data
420.096 C6 H15 O15 P3 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2P0D 1.81 Å NON-ENZYME: BINDING ARHGAP9 PH DOMAIN IN COMPLEX WITH INS(1,4,5)P3 HOMO SAPIENS PROTEIN-PHOSPHOINOSITIDE COMPLEX PLECKSTRIN HOMOLOGY DOMAINBINDING PROTEIN
Ref.: NON-CANONICAL INTERACTION OF PHOSPHOINOSITIDES WITH PLECKSTRIN HOMOLOGY DOMAINS OF TIAM1 AND ARHGAP9. J.BIOL.CHEM. V. 282 13864 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2P0H - I3S C6 H15 O15 P3 [C@H]1([C@....
2 2P0D - I3P C6 H15 O15 P3 [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 426 families.
1 2P0H - I3S C6 H15 O15 P3 [C@H]1([C@....
2 2P0D - I3P C6 H15 O15 P3 [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 322 families.
1 2P0H - I3S C6 H15 O15 P3 [C@H]1([C@....
2 2P0D - I3P C6 H15 O15 P3 [C@H]1([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: I3S; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 I3S 1 1
2 I3P 1 1
3 4IP 0.724138 0.966667
4 2IP 0.692308 1
5 I0P 0.678571 0.966667
6 ITP 0.655172 1
7 I4P 0.653846 0.933333
8 IP2 0.642857 1
9 5IP 0.6 0.933333
10 I5P 0.6 0.933333
11 IP5 0.6 0.933333
12 5MY 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 I6P 0.481481 0.933333
16 IHP 0.481481 0.933333
Similar Ligands (3D)
Ligand no: 1; Ligand: I3S; 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 : 2P0D; Ligand: I3P; 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: 2p0d.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback