Receptor
PDB id Resolution Class Description Source Keywords
1H0A 1.7 Å NON-ENZYME: OTHER EPSIN ENTH BOUND TO INS(1,4,5)P3 RATTUS NORVEGICUS ENDOCYTOSIS EPSIN ENTH CLATHRIN TRISKELION COATED VESICLES ALPHA-ALPHA SUPERHELIX INS(1 4 5)P3
Ref.: CURVATURE OF CLATHRIN-COATED PITS DRIVEN BY EPSIN NATURE V. 419 361 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DIO A:1159;
A:1160;
A:1161;
A:1162;
A:1163;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
88.105 C4 H8 O2 C1COC...
I3P A:1164;
Valid;
none;
Kd = 3.6 uM
420.096 C6 H15 O15 P3 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H0A 1.7 Å NON-ENZYME: OTHER EPSIN ENTH BOUND TO INS(1,4,5)P3 RATTUS NORVEGICUS ENDOCYTOSIS EPSIN ENTH CLATHRIN TRISKELION COATED VESICLES ALPHA-ALPHA SUPERHELIX INS(1 4 5)P3
Ref.: CURVATURE OF CLATHRIN-COATED PITS DRIVEN BY EPSIN NATURE V. 419 361 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 1H0A Kd = 3.6 uM 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 1205 families.
1 1H0A Kd = 3.6 uM 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 1039 families.
1 1H0A Kd = 3.6 uM I3P C6 H15 O15 P3 [C@H]1([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: I3P; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 I3P 1 1
2 I3S 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 IP5 0.6 0.933333
11 I5P 0.6 0.933333
12 5MY 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 IHP 0.481481 0.933333
16 I6P 0.481481 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H0A; 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: 1h0a.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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