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 1610 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 1331 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 1144 families.
1 4EAX - S12 C24 H46 N O9 P CCCCCCCCC=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: S12; Similar ligands found: 84
No: Ligand ECFP6 Tc MDL keys Tc
1 S12 1 1
2 42H 0.701299 0.766667
3 NKP 0.7 0.823529
4 LPX 0.630137 0.886792
5 P5S 0.615385 0.960784
6 8SP 0.602564 0.960784
7 D3D 0.60241 0.826923
8 PGW 0.60241 0.826923
9 DR9 0.595238 0.826923
10 PGV 0.595238 0.826923
11 P6L 0.588235 0.826923
12 LP3 0.584416 0.75
13 LAP 0.584416 0.75
14 K6G 0.584416 0.75
15 LPC 0.584416 0.75
16 OZ2 0.581395 0.826923
17 OLB 0.577465 0.627451
18 OLC 0.577465 0.627451
19 NKN 0.571429 0.803922
20 NKO 0.571429 0.803922
21 P50 0.563218 0.960784
22 MVC 0.555556 0.627451
23 6OU 0.552941 0.888889
24 LOP 0.552941 0.888889
25 L9Q 0.552941 0.888889
26 RXY 0.546512 0.888889
27 CD4 0.544304 0.803922
28 78N 0.541667 0.627451
29 78M 0.541667 0.627451
30 ZPE 0.54023 0.888889
31 LPS 0.538462 0.960784
32 O18 0.527027 0.64
33 PSF 0.525 0.960784
34 PCW 0.516854 0.733333
35 D21 0.512195 0.788462
36 1WV 0.506849 0.627451
37 CN6 0.505882 0.803922
38 PGM 0.5 0.788462
39 CN3 0.494253 0.803922
40 LHG 0.493976 0.807692
41 PGT 0.493976 0.807692
42 GP7 0.489362 0.888889
43 CYS HIS GLY VAL SER GLY SER CYS PAM 0.473684 0.627451
44 B7N 0.473118 0.736842
45 PEK 0.468085 0.888889
46 P3A 0.468085 0.792453
47 CN5 0.464286 0.788462
48 PSC 0.463918 0.733333
49 GYM 0.450704 0.607843
50 EKG 0.450704 0.607843
51 1QW 0.450704 0.607843
52 PEH 0.447059 0.87037
53 PEF 0.447059 0.87037
54 PTY 0.447059 0.87037
55 8PE 0.447059 0.87037
56 3PE 0.447059 0.87037
57 PEV 0.447059 0.87037
58 GSE 0.442857 0.784314
59 9PE 0.44186 0.87037
60 PGK 0.43617 0.763636
61 EPH 0.427184 0.888889
62 PEE 0.425287 0.854545
63 DGG 0.42268 0.763636
64 OPC 0.42268 0.721311
65 PIE 0.42268 0.689655
66 POV 0.416667 0.694915
67 LBN 0.416667 0.694915
68 L9R 0.416667 0.694915
69 HGP 0.41573 0.716667
70 LIO 0.41573 0.716667
71 PX4 0.41573 0.716667
72 HGX 0.41573 0.716667
73 6PL 0.41573 0.716667
74 PC7 0.41573 0.716667
75 PLD 0.41573 0.716667
76 PX8 0.414634 0.75
77 PX2 0.414634 0.75
78 44G 0.411765 0.807692
79 F57 0.402439 0.769231
80 7PH 0.402439 0.769231
81 6PH 0.402439 0.769231
82 PA8 0.402439 0.75
83 LPP 0.402439 0.769231
84 3PH 0.402439 0.769231
Similar Ligands (3D)
Ligand no: 1; Ligand: S12; 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 : 4EAX; Ligand: S12; 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: 4eax.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4EAX; Ligand: S12; 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: 4eax.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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