Receptor
PDB id Resolution Class Description Source Keywords
5OC7 1.65 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF THE PLECKSTRIN-HOMOLOGY DOMAIN OF BCR-A COMPLEX WITH MONOBODY MB(BCR-PH_4). HOMO SAPIENS PLECKSTRIN-HOMOLOGY MONOBODY BCR-ABL PHOSPHOINOSITIDE-BINSIGNALING PROTEIN
Ref.: STRUCTURAL AND FUNCTIONAL DISSECTION OF THE DH AND DOMAINS OF ONCOGENIC BCR-ABL TYROSINE KINASE. NAT COMMUN V. 8 2101 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL C:101;
A:902;
D:901;
B:101;
B:102;
A:901;
A:903;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
IP2 D:902;
 Valid;
 none;
 submit data
340.116 C6 H14 O12 P2 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OC7 1.65 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF THE PLECKSTRIN-HOMOLOGY DOMAIN OF BCR-A COMPLEX WITH MONOBODY MB(BCR-PH_4). HOMO SAPIENS PLECKSTRIN-HOMOLOGY MONOBODY BCR-ABL PHOSPHOINOSITIDE-BINSIGNALING PROTEIN
Ref.: STRUCTURAL AND FUNCTIONAL DISSECTION OF THE DH AND DOMAINS OF ONCOGENIC BCR-ABL TYROSINE KINASE. NAT COMMUN V. 8 2101 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 133 families.
1 5OC7 - IP2 C6 H14 O12 P2 [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 101 families.
1 5OC7 - IP2 C6 H14 O12 P2 [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 70 families.
1 5OC7 - IP2 C6 H14 O12 P2 [C@H]1([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IP2; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 IP2 1 1
2 I4P 0.695652 0.933333
3 I4D 0.653846 0.966667
4 I0P 0.653846 0.966667
5 I3P 0.642857 1
6 I3S 0.642857 1
7 2IP 0.6 1
8 I5P 0.571429 0.933333
9 5IP 0.571429 0.933333
10 5MY 0.571429 0.933333
11 ITP 0.571429 1
12 IP5 0.571429 0.933333
13 4IP 0.533333 0.966667
14 IHP 0.5 0.933333
15 I6P 0.5 0.933333
16 IPD 0.433333 0.870968
17 LIP 0.433333 0.870968
Similar Ligands (3D)
Ligand no: 1; Ligand: IP2; Similar ligands found: 12
No: Ligand Similarity coefficient
1 CB1 0.8842
2 GO0 0.8709
3 XM5 0.8682
4 MT8 0.8674
5 GO1 0.8669
6 4AN 0.8640
7 MXX 0.8617
8 582 0.8610
9 AMU 0.8609
10 QQQ 0.8609
11 5O4 0.8596
12 NG1 0.8559
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OC7; Ligand: IP2; 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: 5oc7.bio3) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5OC7; Ligand: IP2; 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: 5oc7.bio2) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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