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...
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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 263 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 (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 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
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 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
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLN MET PRO THR GLU ASP GLU TYR; Similar ligands found: 112
No: Ligand ECFP6 Tc MDL keys Tc
1 GLN MET PRO THR GLU ASP GLU TYR 1 1
2 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.613793 0.882353
3 THR PRO TYR ASP ILE ASN GLN MET LEU 0.56129 0.942029
4 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.553333 0.80597
5 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.552632 0.871429
6 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.544218 0.882353
7 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.542484 0.857143
8 VAL PRO LEU ARG PRO MET THR TYR 0.522581 0.878378
9 GLN ASN TYR PRO ILE VAL GLN 0.520833 0.855072
10 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.51875 0.859155
11 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.515924 0.855072
12 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.514793 0.891892
13 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.514493 0.833333
14 THR PRO GLN ASP LEU ASN THR MET LEU 0.503356 0.897059
15 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.503145 0.869565
16 ACE TYR PRO ILE GLN GLU THR 0.493243 0.852941
17 LYS THR PHE PRO PRO THR GLU PRO LYS 0.490323 0.878788
18 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.490196 0.797297
19 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.486301 0.73913
20 TYR SEP PRO THR SEP PRO SER 0.482269 0.773333
21 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.481481 0.859155
22 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.48125 0.915493
23 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.480263 0.871429
24 GLU ALA ASP PRO THR GLY HIS SER TYR 0.479042 0.833333
25 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.478261 0.802632
26 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.476821 0.897059
27 MET TYR TRP TYR PRO TYR 0.476821 0.842857
28 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.47561 0.824324
29 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.474026 0.84507
30 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.473054 0.782051
31 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.470968 0.779221
32 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.469512 0.835616
33 LEU PRO PHE ASP LYS THR THR ILE MET 0.469136 0.911765
34 ILE MET ASP GLN VAL PRO PHE SER VAL 0.469136 0.871429
35 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.467949 0.838235
36 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.464286 0.833333
37 CYS THR GLU LEU LYS LEU SER ASP TYR 0.463087 0.724638
38 SER ASP PTR MET ASN MET THR PRO 0.461538 0.855263
39 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.458599 0.897059
40 LEU PRO PHE ASP LYS SER THR ILE MET 0.458333 0.885714
41 LEU PRO PHE GLU LYS SER THR VAL MET 0.457317 0.898551
42 SER MET PRO GLU LEU SER PRO VAL LEU 0.456954 0.869565
43 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.455621 0.857143
44 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.455128 0.828571
45 LEU PRO PHE ASP ARG THR THR ILE MET 0.45509 0.84
46 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.453237 0.608696
47 ASN ASP TRP LEU LEU PRO SER TYR 0.452381 0.837838
48 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.450867 0.789474
49 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.450617 0.842857
50 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.449704 0.830986
51 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.448276 0.792208
52 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.446541 0.897059
53 MET HIS PRO ALA GLN THR SER GLN TRP 0.445714 0.876712
54 ACE GLN PM3 GLU GLU ILE PRO 0.445205 0.739726
55 ILE THR ASP GLN VAL PRO PHE SER VAL 0.444444 0.828571
56 TRP GLU TYR ILE PRO ASN VAL 0.443114 0.821918
57 SER GLU CYS THR THR PRO CYS 0.442857 0.808824
58 LEU PRO PHE GLU ARG ALA THR VAL MET 0.44186 0.837838
59 PHE ASN PHE PRO GLN ILE THR 0.440789 0.828571
60 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.438596 0.915493
61 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.438272 0.882353
62 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.438202 0.802817
63 ALA PRO THR MET PRO PRO PRO LEU PRO PRO 0.4375 0.882353
64 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.437126 0.835616
65 ARG ARG ARG GLU ARG SER PRO THR ARG 0.437086 0.743243
66 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.437086 0.77027
67 PHE PRO THR LYS ASP VAL ALA LEU 0.436709 0.865672
68 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.436709 0.77027
69 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.436047 0.859155
70 LEU SER SER PRO VAL THR LYS SER PHE 0.435897 0.826087
71 LEU PRO PHE GLU ARG ALA THR ILE MET 0.434286 0.826667
72 ARG PRO MET THR TYR LYS GLY ALA LEU 0.434286 0.866667
73 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.434286 0.859155
74 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.433526 0.802632
75 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.432432 0.804878
76 ARG VAL SER PRO SER THR SER TYR THR PRO 0.431507 0.826087
77 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.431138 0.828571
78 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.430168 0.815789
79 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.429448 0.8
80 SER ARG ASP HIS SER ARG THR PRO MET 0.429412 0.828947
81 TYR PRO TYR 0.428571 0.75
82 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.427632 0.835821
83 SER GLN ASN TYR 0.425197 0.637681
84 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.424837 0.666667
85 ALA SER ASN GLU ASP MET GLU THR MET 0.423358 0.681159
86 ALA THR ALA ALA ALA THR GLU ALA TYR 0.419118 0.666667
87 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.418605 0.791667
88 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.414815 0.621622
89 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.414474 0.826087
90 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.412791 0.766234
91 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.412162 0.852941
92 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.412088 0.731707
93 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.409938 0.774648
94 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.408805 0.72
95 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.407821 0.759494
96 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.407821 0.792208
97 PHE SER HIS PRO GLN ASN THR 0.407407 0.805556
98 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.405405 0.875
99 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.404145 0.807692
100 SER SER PHE TYR PRO SEP ALA GLU GLY 0.403727 0.75
101 PRO GLN PTR GLU GLU ILE PRO ILE 0.403614 0.783784
102 ASP ALA ASP GLU TYR LEU 0.402878 0.641791
103 PRO THR SEP PRO SER TYR 0.402516 0.76
104 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.402439 0.756757
105 SER SER TYR ARG ARG PRO VAL GLY ILE 0.402367 0.802632
106 ARG TYR PRO LEU THR PHE GLY TRP 0.402174 0.782051
107 GLU VAL PTR GLU SER PRO 0.401316 0.763158
108 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.401274 0.77027
109 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.401198 0.847222
110 HIS SER ILE THR TYR LEU LEU PRO VAL 0.401163 0.810811
111 ASP THR GLU MET GLU GLU VAL ASP 0.4 0.686567
112 GLY PRO THR ILE GLU GLU VAL ASP 0.4 0.794118
Similar Binding Sites (Proteins are less than 50% similar to leader)
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