Receptor
PDB id Resolution Class Description Source Keywords
1H6H 1.7 Å NON-ENZYME: OTHER STRUCTURE OF THE PX DOMAIN FROM P40PHOX BOUND TO PHOSPHATIDY 3-PHOSPHATE HOMO SAPIENS PX DOMAIN
Ref.: THE CRYSTAL STRUCTURE OF THE PX DOMAIN FROM P40PHOX PHOSPHATIDYLINOSITOL 3-PHOSPHATE MOL.CELL V. 8 829 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:151;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
PIB A:150;
 Valid;
 none;
 Kd = 5 uM
554.374 C17 H32 O16 P2 CCCC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H6H 1.7 Å NON-ENZYME: OTHER STRUCTURE OF THE PX DOMAIN FROM P40PHOX BOUND TO PHOSPHATIDY 3-PHOSPHATE HOMO SAPIENS PX DOMAIN
Ref.: THE CRYSTAL STRUCTURE OF THE PX DOMAIN FROM P40PHOX PHOSPHATIDYLINOSITOL 3-PHOSPHATE MOL.CELL V. 8 829 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 1H6H Kd = 5 uM PIB C17 H32 O16 P2 CCCC(=O)OC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 1H6H Kd = 5 uM PIB C17 H32 O16 P2 CCCC(=O)OC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 1H6H Kd = 5 uM PIB C17 H32 O16 P2 CCCC(=O)OC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PIB; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 5P5 1 1
2 PIB 1 1
3 I35 0.870968 0.978261
4 DB4 0.84127 1
5 PBU 0.818182 1
6 PIF 0.623377 0.938776
7 PIO 0.620253 0.938776
8 52N 0.620253 0.938776
9 3PI 0.613333 0.957447
10 IP9 0.6 0.918367
11 PII 0.597403 0.918367
12 PIZ 0.592593 0.918367
13 4PT 0.5625 0.9375
14 B7N 0.534884 0.9
15 T7X 0.51087 0.9
16 CN6 0.413793 0.76
17 44E 0.413333 0.795918
18 PSF 0.409639 0.684211
19 CN3 0.404494 0.76
20 PD7 0.402597 0.795918
21 44G 0.402439 0.764706
22 PIE 0.4 0.843137
Similar Ligands (3D)
Ligand no: 1; Ligand: PIB; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H6H; Ligand: PIB; 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: 1h6h.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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