Receptor
PDB id Resolution Class Description Source Keywords
1N69 2.2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN SAPOSIN B HOMO SAPIENS LIPID BINDING PROTEIN GLYCOSPHINGOLIPID ACTIVATOR PROTEIN
Ref.: CRYSTAL STRUCTURE OF SAPOSIN B REVEALS A DIMERIC SH LIPID BINDING PROC.NATL.ACAD.SCI.USA V. 100 38 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEH A:300;
Valid;
none;
submit data
748.065 C41 H82 N O8 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4V2O 2.13 Å NON-ENZYME: BINDING STRUCTURE OF SAPOSIN B IN COMPLEX WITH CHLOROQUINE HOMO SAPIENS HYDROLASE ACTIVATOR PROTEIN-LIGAND COMPLEX
Ref.: THE LYSOSOMAL PROTEIN SAPOSIN B BINDS CHLOROQUINE. CHEMMEDCHEM V. 11 277 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 544 families.
1 1N69 - PEH C41 H82 N O8 P CCCCCCCCCC....
2 4V2O Ka = 31400 M^-1 CLQ C18 H26 Cl N3 CCN(CC)CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 420 families.
1 1N69 - PEH C41 H82 N O8 P CCCCCCCCCC....
2 4V2O Ka = 31400 M^-1 CLQ C18 H26 Cl N3 CCN(CC)CCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 1N69 - PEH C41 H82 N O8 P CCCCCCCCCC....
2 4V2O Ka = 31400 M^-1 CLQ C18 H26 Cl N3 CCN(CC)CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PEH; Similar ligands found: 99
No: Ligand ECFP6 Tc MDL keys Tc
1 PTY 1 1
2 PEF 1 1
3 PEV 1 1
4 PEH 1 1
5 8PE 1 1
6 9PE 0.983051 1
7 L9Q 0.865672 0.980769
8 6OU 0.865672 0.980769
9 LOP 0.865672 0.980769
10 ZPE 0.814286 0.980769
11 LIO 0.80303 0.793103
12 PC7 0.80303 0.793103
13 PLD 0.80303 0.793103
14 HGP 0.80303 0.793103
15 6PL 0.80303 0.793103
16 PX4 0.80303 0.793103
17 HGX 0.80303 0.793103
18 PEE 0.8 0.980769
19 GP7 0.773333 0.980769
20 PEK 0.77027 0.980769
21 CD4 0.769231 0.823529
22 P5S 0.75 0.90566
23 PGT 0.746269 0.826923
24 LHG 0.746269 0.826923
25 XP5 0.746269 0.793103
26 3PH 0.714286 0.788462
27 LPP 0.714286 0.788462
28 7PH 0.714286 0.788462
29 F57 0.714286 0.788462
30 6PH 0.714286 0.788462
31 PCW 0.706667 0.779661
32 PX8 0.703125 0.769231
33 PX2 0.703125 0.769231
34 7P9 0.703125 0.788462
35 HXG 0.691176 0.793103
36 PCK 0.688312 0.754098
37 PA8 0.6875 0.769231
38 CN3 0.684932 0.823529
39 PGW 0.657895 0.811321
40 D3D 0.657895 0.811321
41 PII 0.657534 0.706897
42 CN6 0.657534 0.823529
43 PD7 0.65625 0.788462
44 P50 0.653846 0.90566
45 PGV 0.649351 0.811321
46 DR9 0.649351 0.811321
47 EPH 0.647059 0.980769
48 PSC 0.646341 0.779661
49 PSF 0.642857 0.90566
50 P6L 0.641026 0.811321
51 PGK 0.641026 0.781818
52 44G 0.637681 0.826923
53 8ND 0.636364 0.730769
54 CDL 0.633803 0.75
55 OZ2 0.632911 0.811321
56 D21 0.625 0.773585
57 M7U 0.625 0.788462
58 PIF 0.618421 0.694915
59 DGG 0.617284 0.781818
60 3PE 0.616438 0.884615
61 PIZ 0.607595 0.706897
62 PCF 0.6 0.724138
63 MC3 0.6 0.724138
64 PC1 0.6 0.724138
65 44E 0.6 0.788462
66 52N 0.594937 0.694915
67 PIO 0.594937 0.694915
68 IP9 0.594937 0.706897
69 B7N 0.585366 0.694915
70 PDK 0.577778 0.833333
71 AGA 0.565789 0.792453
72 1EM 0.553846 0.607843
73 DGA 0.553846 0.607843
74 DDR 0.553846 0.607843
75 FAW 0.553846 0.607843
76 L2C 0.553846 0.607843
77 PIE 0.541176 0.65
78 T7X 0.539326 0.694915
79 L9R 0.535714 0.711864
80 POV 0.535714 0.711864
81 LAP 0.533333 0.827586
82 LP3 0.533333 0.827586
83 LPC 0.533333 0.827586
84 P3A 0.523256 0.777778
85 NKN 0.492754 0.788462
86 NKO 0.492754 0.788462
87 42H 0.47619 0.813559
88 DLP 0.472527 0.711864
89 CN5 0.468354 0.843137
90 S12 0.447059 0.87037
91 43Y 0.445946 0.758621
92 PC5 0.443038 0.645161
93 NKP 0.435897 0.773585
94 3PC 0.421687 0.706897
95 GEL 0.421687 0.942308
96 PCJ 0.413793 0.672414
97 PGM 0.410256 0.773585
98 DB4 0.407407 0.644068
99 PBU 0.404762 0.644068
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4V2O; Ligand: CLQ; 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: 4v2o.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4V2O; Ligand: CLQ; 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: 4v2o.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4V2O; Ligand: CLQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4v2o.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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