Receptor
PDB id Resolution Class Description Source Keywords
1JOC 2.2 Å NON-ENZYME: IMMUNE EEA1 HOMODIMER OF C-TERMINAL FYVE DOMAIN BOUND TO INOSITOL 1,3-DIPHOSPHATE HOMO SAPIENS FYVE DOMAIN INOSITOL 3-PHOSPHATE BINDING MEMBRANE PROTEIN
Ref.: MULTIVALENT ENDOSOME TARGETING BY HOMODIMERIC EEA1. MOL.CELL V. 8 947 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ITP A:101;
B:102;
 Valid;
Valid;
 none;
none;
 Kd = 24 uM
340.116 C6 H14 O12 P2 C1([C...
ZN A:300;
A:301;
B:302;
B:303;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JOC 2.2 Å NON-ENZYME: IMMUNE EEA1 HOMODIMER OF C-TERMINAL FYVE DOMAIN BOUND TO INOSITOL 1,3-DIPHOSPHATE HOMO SAPIENS FYVE DOMAIN INOSITOL 3-PHOSPHATE BINDING MEMBRANE PROTEIN
Ref.: MULTIVALENT ENDOSOME TARGETING BY HOMODIMERIC EEA1. MOL.CELL V. 8 947 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1JOC Kd = 24 uM ITP C6 H14 O12 P2 C1([C@@H](....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 1JOC Kd = 24 uM ITP C6 H14 O12 P2 C1([C@@H](....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 1JOC Kd = 24 uM ITP C6 H14 O12 P2 C1([C@@H](....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ITP; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 ITP 1 1
2 I4D 0.730769 0.966667
3 2IP 0.68 1
4 I3S 0.655172 1
5 I3P 0.655172 1
6 4IP 0.6 0.966667
7 I4P 0.576923 0.933333
8 IP2 0.571429 1
9 I0P 0.551724 0.966667
10 5IP 0.533333 0.933333
11 I5P 0.533333 0.933333
12 5MY 0.533333 0.933333
13 IP5 0.533333 0.933333
14 IHP 0.52 0.933333
15 I6P 0.52 0.933333
16 IPD 0.451613 0.870968
17 LIP 0.451613 0.870968
Similar Ligands (3D)
Ligand no: 1; Ligand: ITP; Similar ligands found: 11
No: Ligand Similarity coefficient
1 AO6 0.8946
2 FUJ 0.8728
3 G1P 0.8679
4 LF5 0.8670
5 NBG 0.8663
6 VKE 0.8657
7 N88 0.8614
8 YO5 0.8602
9 C1F 0.8585
10 HKK 0.8575
11 KDM 0.8557
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JOC; Ligand: ITP; 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: 1joc.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1JOC; Ligand: ITP; 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: 1joc.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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