Receptor
PDB id Resolution Class Description Source Keywords
1LB5 2.4 Å NON-ENZYME: SIGNAL_HORMONE TRAF6-RANK COMPLEX HOMO SAPIENS TRAF6-RANK COMPLEX SIGNALING PROTEIN
Ref.: DISTINCT MOLECULAR MECHANISM FOR INITIATING TRAF6 SIGNALLING. NATURE V. 418 443 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLN MET PRO THR GLU ASP GLU TYR B:601;
 Valid;
 none;
 submit data
1009.04 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LB6 1.8 Å NON-ENZYME: SIGNAL_HORMONE TRAF6-CD40 COMPLEX HOMO SAPIENS TRAF6-CD40 COMPLEX SIGNALING PROTEIN
Ref.: DISTINCT MOLECULAR MECHANISM FOR INITIATING TRAF6 SIGNALLING. NATURE V. 418 443 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1LB6 Kd = 84 uM LYS GLN GLU PRO GLN GLU ILE ASP PHE n/a n/a
2 1LB5 - GLN MET PRO THR GLU ASP GLU TYR n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6MYD - GLU PRO VAL GLU THR THR ASP TYR n/a n/a
2 1LB6 Kd = 84 uM LYS GLN GLU PRO GLN GLU ILE ASP PHE n/a n/a
3 1LB5 - GLN MET PRO THR GLU ASP GLU TYR n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6MYD - GLU PRO VAL GLU THR THR ASP TYR n/a n/a
2 1LB6 Kd = 84 uM LYS GLN GLU PRO GLN GLU ILE ASP PHE n/a n/a
3 1LB5 - GLN MET PRO THR GLU ASP GLU TYR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLN MET PRO THR GLU ASP GLU TYR; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 GLN MET PRO THR GLU ASP GLU TYR 1 1
2 GLU PRO VAL GLU THR THR ASP TYR 0.654135 0.895522
3 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.630137 0.884058
4 GLN ILE MET TYR ASN TYR PRO ALA MET 0.586667 0.914286
5 THR PRO TYR ASP ILE ASN GLN MET LEU 0.578947 0.942029
6 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.576159 0.871429
7 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.558442 0.857143
8 GLN ASN TYR PRO ILE VAL GLN 0.545455 0.855072
9 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.544218 0.882353
10 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.542484 0.794118
11 ACE TYR PRO ILE GLN GLU THR 0.534722 0.852941
12 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.522293 0.869565
13 VAL PRO LEU ARG PRO MET THR TYR 0.515924 0.878378
14 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.512346 0.847222
15 THR PRO GLN ASP LEU ASN THR MET LEU 0.510204 0.897059
16 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.508671 0.891892
17 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.506173 0.857143
18 GLU GLU ASN ASP PRO ASP TYR 0.503759 0.850746
19 GLU ALA ASP PRO THR GLY HIS SER TYR 0.50303 0.847222
20 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.490196 0.786667
21 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.486842 0.871429
22 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.483871 0.852941
23 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.482269 0.848485
24 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.481707 0.847222
25 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.48125 0.915493
26 LYS THR PHE PRO PRO THR GLU PRO LYS 0.480769 0.880597
27 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.47973 0.73913
28 ASP ILE ASN TYR TYR THR SER GLU PRO 0.477419 0.847222
29 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.474026 0.84507
30 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.472727 0.824324
31 LEU PRO PHE ASP LYS THR THR ILE MET 0.472393 0.913043
32 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.470968 0.769231
33 MET TYR TRP TYR PRO TYR 0.470968 0.857143
34 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.470968 0.925373
35 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.470588 0.911765
36 ALA THR PRO PHE GLN GLU 0.468966 0.833333
37 TYR SEP PRO THR SEP PRO SER 0.468531 0.786667
38 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.467456 0.782051
39 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.466667 0.849315
40 ILE MET ASP GLN VAL PRO PHE SER VAL 0.466258 0.871429
41 SER ASP PTR MET ASN MET THR PRO 0.464968 0.855263
42 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.461988 0.833333
43 ASN ASP TRP LEU LEU PRO SER TYR 0.461538 0.837838
44 LEU PRO PHE ASP LYS SER THR ILE MET 0.461538 0.9
45 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.458333 0.857143
46 LEU PRO PHE ASP ARG THR THR ILE MET 0.458333 0.84
47 CYS THR GLU LEU LYS LEU SER ASP TYR 0.456954 0.73913
48 ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 0.45679 0.837838
49 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.455621 0.830986
50 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.453988 0.802632
51 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.452703 0.835821
52 LEU PRO PHE GLU LYS SER THR VAL MET 0.451807 0.913043
53 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.45 0.911765
54 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.449704 0.915493
55 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.448276 0.789474
56 SER PRO ILE VAL PRO SER PHE ASP MET 0.444444 0.9
57 ASN ASP THR SER GLN THR SER SER PRO SER OPE 0.444444 0.727273
58 PHE ASN PHE PRO GLN ILE THR 0.444444 0.828571
59 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.444444 0.666667
60 MET HIS PRO ALA GLN THR SER GLN TRP 0.44382 0.876712
61 TRP GLU TYR ILE PRO ASN VAL 0.443787 0.821918
62 ILE THR ASP GLN VAL PRO PHE SER VAL 0.441718 0.828571
63 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.440994 0.911765
64 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.440559 0.897059
65 ARG THR PHE SER PRO THR TYR GLY LEU 0.440476 0.792208
66 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.4375 0.847222
67 LEU PRO PHE GLU ARG ALA THR VAL MET 0.436782 0.837838
68 SER GLU CYS THR THR PRO CYS 0.43662 0.823529
69 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.436047 0.873239
70 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.435583 0.814286
71 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.434286 0.802632
72 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.433962 0.816901
73 SER MET PRO GLU LEU SER PRO VAL LEU 0.432432 0.884058
74 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.432099 0.897059
75 LEU PRO PHE GLU ARG ALA THR ILE MET 0.431818 0.826667
76 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.431694 0.805556
77 ARG VAL SER PRO SER THR SER TYR THR PRO 0.431507 0.826087
78 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.430464 0.855072
79 ARG PRO MET THR TYR LYS GLY ALA LEU 0.430168 0.866667
80 PHE PRO THR LYS ASP VAL ALA LEU 0.429448 0.867647
81 TYR PRO TYR 0.428571 0.764706
82 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.427632 0.838235
83 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.426901 0.861111
84 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.426901 0.830986
85 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.426901 0.816901
86 PRO SER TYR SEP PRO THR SEP PRO SER 0.426752 0.786667
87 ASP ILE ALA TYR TYR THR SER GLU PRO 0.425806 0.859155
88 ACE PRO VAL GLN GLU THR NH2 0.423358 0.808824
89 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.423313 0.756757
90 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.422819 0.823529
91 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.420765 0.815789
92 ALA SER ASN GLU ASP MET GLU THR MET 0.42029 0.681159
93 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.420213 0.804878
94 SER ARG ASP HIS SER ARG THR PRO MET 0.41954 0.828947
95 ALA THR ALA ALA ALA THR GLU ALA TYR 0.419118 0.681818
96 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.416149 0.77027
97 ASP TYR ILE ASN THR ASN VAL LEU PRO 0.415094 0.884058
98 GLU VAL PTR GLU SER PRO 0.414474 0.776316
99 ACE PRO GLN GLN ALA THR ASP ASP 0.413793 0.850746
100 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.412587 0.608696
101 LEU PRO SER PHE GLU THR ALA LEU 0.4125 0.84058
102 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.411111 0.805195
103 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.411043 0.859155
104 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.411043 0.774648
105 SER GLN ASN TYR 0.410853 0.637681
106 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.409091 0.826087
107 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.409091 0.805556
108 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.408805 0.77027
109 PRO GLN PTR GLU GLU ILE PRO ILE 0.408537 0.773333
110 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.408537 0.8
111 N7P THR SEP PRO SER TYR SET 0.407643 0.789474
112 ASP ALA ASP GLU TYR LEU 0.407143 0.656716
113 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.405714 0.75641
114 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.405556 0.772152
115 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.405128 0.807692
116 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.404762 0.847222
117 ACE 2L5 PRO PRO 8TQ THR GLU ASP GLU NLW 0.403226 0.802632
118 ASP PHE GLU ASP TYR GLU PHE ASP 0.402878 0.637681
119 TYR ASP GLN ILE LEU 0.402878 0.632353
120 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.402174 0.731707
121 ARG TYR PRO LEU THR PHE GLY TRP 0.40107 0.782051
122 ACE PRO ALA PRO TYR 0.4 0.835821
123 PHE SER HIS PRO GLN ASN THR 0.4 0.805556
Similar Ligands (3D)
Ligand no: 1; Ligand: GLN MET PRO THR GLU ASP GLU TYR; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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