Receptor
PDB id Resolution Class Description Source Keywords
4EAX 2.3 Å NON-ENZYME: OTHER MOUSE NGF IN COMPLEX WITH LYSO-PS MUS MUSCULUS LYSO-PS PHOSPHOLIPID HORMONE
Ref.: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO LIPID-BOUND GROWTH FACTORS FASEB J. V. 26 3811 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
S12 B:201;
D:201;
Valid;
Valid;
none;
none;
submit data
523.597 C24 H46 N O9 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EAX 2.3 Å NON-ENZYME: OTHER MOUSE NGF IN COMPLEX WITH LYSO-PS MUS MUSCULUS LYSO-PS PHOSPHOLIPID HORMONE
Ref.: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO LIPID-BOUND GROWTH FACTORS FASEB J. V. 26 3811 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4EAX - S12 C24 H46 N O9 P CCCCCCCCC=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4EAX - S12 C24 H46 N O9 P CCCCCCCCC=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4EAX - S12 C24 H46 N O9 P CCCCCCCCC=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: S12; Similar ligands found: 63
No: Ligand ECFP6 Tc MDL keys Tc
1 S12 1 1
2 42H 0.701299 0.766667
3 NKP 0.7 0.823529
4 P5S 0.615385 0.960784
5 PGW 0.60241 0.826923
6 DR9 0.595238 0.826923
7 PGV 0.595238 0.826923
8 P6L 0.588235 0.826923
9 LPC 0.584416 0.75
10 LP3 0.584416 0.75
11 LAP 0.584416 0.75
12 OZ2 0.581395 0.826923
13 OLB 0.577465 0.627451
14 OLC 0.577465 0.627451
15 NKN 0.571429 0.803922
16 MVC 0.555556 0.627451
17 L9Q 0.552941 0.888889
18 LOP 0.552941 0.888889
19 CD4 0.544304 0.803922
20 78M 0.541667 0.627451
21 78N 0.541667 0.627451
22 ZPE 0.54023 0.888889
23 LPS 0.538462 0.960784
24 PSF 0.525 0.960784
25 PCW 0.516854 0.733333
26 CN6 0.505882 0.803922
27 PGM 0.5 0.788462
28 CN3 0.494253 0.803922
29 LHG 0.493976 0.807692
30 PGT 0.493976 0.807692
31 GP7 0.489362 0.888889
32 B7N 0.473118 0.736842
33 PEK 0.468085 0.888889
34 P3A 0.468085 0.792453
35 CN5 0.464286 0.788462
36 PSC 0.463918 0.733333
37 GYM 0.450704 0.607843
38 PTY 0.447059 0.87037
39 8PE 0.447059 0.87037
40 PEF 0.447059 0.87037
41 PEH 0.447059 0.87037
42 PEV 0.447059 0.87037
43 GSE 0.442857 0.784314
44 9PE 0.44186 0.87037
45 PGK 0.43617 0.763636
46 EPH 0.427184 0.888889
47 PEE 0.425287 0.854545
48 PIE 0.42268 0.689655
49 DGG 0.42268 0.763636
50 OPC 0.42268 0.721311
51 L9R 0.416667 0.694915
52 HGP 0.41573 0.716667
53 PLD 0.41573 0.716667
54 LIO 0.41573 0.716667
55 HGX 0.41573 0.716667
56 PC7 0.41573 0.716667
57 6PL 0.41573 0.716667
58 PX2 0.414634 0.75
59 44G 0.411765 0.807692
60 3PH 0.402439 0.769231
61 6PH 0.402439 0.769231
62 7PH 0.402439 0.769231
63 LPP 0.402439 0.769231
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EAX; Ligand: S12; Similar sites found: 5
This union binding pocket(no: 1) in the query (biounit: 4eax.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1OLM VTQ 0.01731 0.41669 4.16667
2 1ZN7 PRP 0.01559 0.42822 5.83333
3 5TT5 NAD 0.0242 0.41071 6.66667
4 2R5E QLP 0.02182 0.41089 12.5
5 2R5C C6P 0.02474 0.40063 12.5
Pocket No.: 2; Query (leader) PDB : 4EAX; Ligand: S12; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 4eax.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3OZG SSI 0.01659 0.40802 3.33333
2 3VTF UPG 0.03651 0.4034 3.33333
3 3D78 NBB 0.03017 0.42118 5.04202
4 3QOX SAH 0.03116 0.40038 10
5 1FIQ FAD 0.04317 0.40662 15
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