Receptor
PDB id Resolution Class Description Source Keywords
1n4k 2.2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR BINDING CORE IN COMPLEX WITH IP3 MUS MUSCULUS IP3 RECEPTOR IP3-BINDING CORE CALCIUM CHANNELPROTEIN- LIGAND COMPLEX B-TREFOIL FOLD ARMADILLO-LIKE FOLD MEMBRANE PROTEIN
Ref.: STRUCTURE OF THE INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR BINDING CORE IN COMPLEX WITH ITS LIGAND. NATURE V. 420 696 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
I3P A:1000;
 Valid;
 none;
 Kd = 0.09 nM
420.096 C6 H15 O15 P3 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N4K 2.2 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR BINDING CORE IN COMPLEX WITH IP3 MUS MUSCULUS IP3 RECEPTOR IP3-BINDING CORE CALCIUM CHANNELPROTEIN- LIGAND COMPLEX B-TREFOIL FOLD ARMADILLO-LIKE FOLD MEMBRANE PROTEIN
Ref.: STRUCTURE OF THE INOSITOL 1,4,5-TRISPHOSPHATE RECEPTOR BINDING CORE IN COMPLEX WITH ITS LIGAND. NATURE V. 420 696 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1N4K Kd = 0.09 nM I3P C6 H15 O15 P3 [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 1N4K Kd = 0.09 nM I3P C6 H15 O15 P3 [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 1N4K Kd = 0.09 nM I3P C6 H15 O15 P3 [C@H]1([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: I3P; 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: I3P; Similar ligands found: 1
No: Ligand Similarity coefficient
1 Y3 0.8807
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N4K; 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: 1n4k.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback