Receptor
PDB id Resolution Class Description Source Keywords
2I5F 1.35 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE C-TERMINAL PH DOMAIN OF PLECKSTRIN IN COMPLEX WITH D-MYO-INS(1,2,3,5,6)P5 HOMO SAPIENS PH DOMAIN PROTEIN-INOSITOL PHOSPHATE COMPLEX LIPID BINDING PROTEIN
Ref.: STRUCTURAL ANALYSIS OF THE CARBOXY TERMINAL PH DOMAIN OF PLECKSTRIN BOUND TO D-MYO-INOSITOL 1,2,3,5,6-PENTAKISPHOSPHATE. BMC STRUCT.BIOL. V. 7 80 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5IP A:550;
Valid;
none;
ic50 = 2.2 uM
580.055 C6 H17 O21 P5 C1([C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2I5F 1.35 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE C-TERMINAL PH DOMAIN OF PLECKSTRIN IN COMPLEX WITH D-MYO-INS(1,2,3,5,6)P5 HOMO SAPIENS PH DOMAIN PROTEIN-INOSITOL PHOSPHATE COMPLEX LIPID BINDING PROTEIN
Ref.: STRUCTURAL ANALYSIS OF THE CARBOXY TERMINAL PH DOMAIN OF PLECKSTRIN BOUND TO D-MYO-INOSITOL 1,2,3,5,6-PENTAKISPHOSPHATE. BMC STRUCT.BIOL. V. 7 80 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2I5F ic50 = 2.2 uM 5IP C6 H17 O21 P5 C1([C@@H](....
2 2I5C - IP5 C6 H17 O21 P5 C1([C@@H](....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2I5F ic50 = 2.2 uM 5IP C6 H17 O21 P5 C1([C@@H](....
2 2I5C - IP5 C6 H17 O21 P5 C1([C@@H](....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2I5F ic50 = 2.2 uM 5IP C6 H17 O21 P5 C1([C@@H](....
2 2I5C - IP5 C6 H17 O21 P5 C1([C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5IP; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 I5P 1 1
2 5IP 1 1
3 IP5 1 1
4 5MY 1 1
5 I4P 0.782609 1
6 I0P 0.730769 0.965517
7 4IP 0.714286 0.965517
8 IHP 0.652174 1
9 I6P 0.652174 1
10 I3P 0.6 0.933333
11 I3S 0.6 0.933333
12 IP2 0.571429 0.933333
13 ITP 0.533333 0.933333
14 2IP 0.5 0.933333
15 I7P 0.454545 0.965517
16 I8P 0.454545 0.965517
17 2YN 0.454545 0.965517
18 I4D 0.451613 0.9
19 5A3 0.428571 0.8
20 5A2 0.428571 0.8
21 4WZ 0.428571 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2I5F; Ligand: 5IP; Similar sites found: 11
This union binding pocket(no: 1) in the query (biounit: 2i5f.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZLM ANP 0.02883 0.40152 2.75229
2 3C4M MAL 0.01399 0.409 3.66972
3 2PTZ PAH 0.01432 0.41422 5.50459
4 1H16 DTL 0.01594 0.40055 9.17431
5 3E4O SIN 0.00243 0.41193 10.0917
6 4HA9 NDP 0.02219 0.40373 10.0917
7 2VWT PYR 0.009884 0.40337 14.6789
8 1W1G 4PT 0.0001461 0.48151 31.1927
9 1UPR 4IP 0.000004303 0.57367 32.1101
10 1FAO 4IP 0.0000003354 0.55771 38.5321
11 1UNQ 4IP 0.0000004237 0.5727 40.367
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