Receptor
PDB id Resolution Class Description Source Keywords
1W9E 1.56 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE PDZ TANDEM OF HUMAN SYNTENIN IN COMPLEX WITH TNEFYF PEPTIDE HOMO SAPIENS CELL ADHESION ADHESION/COMPLEX PDZ DOMAIN SCAFFOLDING PROTEIN SIGNALING PROTEIN
Ref.: THE BINDING OF THE PDZ TANDEM OF SYNTENIN TO TARGET PROTEINS. BIOCHEMISTRY V. 45 3674 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEZ A:1274;
Invalid;
none;
submit data
122.121 C7 H6 O2 c1ccc...
THR ASN GLU PHE TYR PHE R:3;
S:2;
T:2;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 1 mM
717.756 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W9O 2.25 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE PDZ TANDEM OF HUMAN SYNTENIN IN COMPLEX WITH TNEYYV PEPTIDE HOMO SAPIENS CELL ADHESION ADHESION/COMPLEX PDZ DOMAIN SCAFFOLDING PROTEIN
Ref.: THE BINDING OF THE PDZ TANDEM OF SYNTENIN TO TARGET PROTEINS. BIOCHEMISTRY V. 45 3674 2006
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1W9Q - THR ASN GLU PHE ALA PHE n/a n/a
2 1OBZ - GLU THR LEU GLU ASP SER VAL PHE n/a n/a
3 1V1T - THR ASN GLU TYR LYS VAL n/a n/a
4 1W9E Kd = 1 mM THR ASN GLU PHE TYR PHE n/a n/a
5 1W9O Kd = 0.74 mM THR ASN GLU TYR TYR VAL n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 1W9Q - THR ASN GLU PHE ALA PHE n/a n/a
2 1OBZ - GLU THR LEU GLU ASP SER VAL PHE n/a n/a
3 1V1T - THR ASN GLU TYR LYS VAL n/a n/a
4 1W9E Kd = 1 mM THR ASN GLU PHE TYR PHE n/a n/a
5 1W9O Kd = 0.74 mM THR ASN GLU TYR TYR VAL n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 1W9Q - THR ASN GLU PHE ALA PHE n/a n/a
2 1OBZ - GLU THR LEU GLU ASP SER VAL PHE n/a n/a
3 1V1T - THR ASN GLU TYR LYS VAL n/a n/a
4 1W9E Kd = 1 mM THR ASN GLU PHE TYR PHE n/a n/a
5 1W9O Kd = 0.74 mM THR ASN GLU TYR TYR VAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: THR ASN GLU PHE TYR PHE; Similar ligands found: 140
No: Ligand ECFP6 Tc MDL keys Tc
1 THR ASN GLU PHE TYR PHE 1 1
2 GLU ASN GLN LYS GLU TYR PHE PHE 0.848837 0.895833
3 THR ASN GLU PHE ALA PHE 0.738095 0.863636
4 THR ASN GLU TYR TYR VAL 0.714286 0.934783
5 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.682353 0.891304
6 TYR GLN PHE 0.670732 0.953488
7 GLU GLU GLN GLU GLU TYR 0.662338 0.863636
8 THR ASN GLU TYR LYS VAL 0.655914 0.82
9 ASP PHE GLU ASP TYR GLU PHE ASP 0.652174 0.911111
10 THR ASN GLU PHE TYR ALA 0.618557 0.895833
11 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.6 0.84
12 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.59596 0.823529
13 THR TYR LYS PHE PHE GLU GLN 0.59596 0.823529
14 ASP PHE GLU GLU ILE 0.582418 0.708333
15 GLU ASN LEU TYR PHE GLN 0.58 0.877551
16 SER GLN ASN TYR 0.579545 0.836735
17 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.568627 0.87234
18 GLU GLN TYR LYS PHE TYR SER VAL 0.556604 0.763636
19 ASP PHE 0.552632 0.697674
20 SER HIS PHE ASN GLU TYR GLU 0.543103 0.754386
21 ALA GLU THR PHE 0.533333 0.765957
22 ASP ALA ASP GLU TYR LEU 0.53 0.8125
23 LEU GLU PHE GLN GLY 0.520408 0.653846
24 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.520408 0.701754
25 ALA GLU THR PHE TYR VAL ASP GLY 0.514019 0.836735
26 SER GLN TYR TYR TYR ASN SER LEU 0.509804 0.811321
27 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.509804 0.730769
28 SER ASP TYR GLN ARG LEU 0.509615 0.701754
29 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.508333 0.811321
30 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.508333 0.7
31 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.507692 0.640625
32 SEP GLN GLU TYR NH2 0.505155 0.714286
33 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.504505 0.811321
34 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.504348 0.767857
35 TYR GLU TRP 0.5 0.816327
36 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.495726 0.773585
37 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.495575 0.803922
38 THR LYS ASN TYR LYS GLN PHE SER VAL 0.495495 0.781818
39 ALA LEU ASP LEU PHE 0.494253 0.680851
40 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.492424 0.683333
41 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.491525 0.655172
42 SER ILE ILE ASN PHE GLU LYS LEU 0.491228 0.649123
43 PHE ARG TYR LEU GLY 0.486239 0.706897
44 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.483871 0.767857
45 GLU ILE ILE ASN PHE GLU LYS LEU 0.478261 0.666667
46 LYS TYR LYS 0.477273 0.770833
47 ACE ILE TYR GLU SER LEU 0.475728 0.735849
48 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.47541 0.661017
49 PHE LEU ALA TYR LYS 0.471698 0.764706
50 SER SER ARG LYS GLU TYR TYR ALA 0.471698 0.719298
51 PHE LEU SER TYR LYS 0.471698 0.727273
52 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.470588 0.759259
53 ASP GLU LEU GLU ILE LYS ALA TYR 0.470085 0.735849
54 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.47 0.708333
55 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.469231 0.634921
56 VAL GLN GLN GLU SER SER PHE VAL MET 0.468468 0.62069
57 ACE VAL PHE PHE ALA GLU ASP NH2 0.466019 0.782609
58 SEP GLN GLU PTR 0.465347 0.696429
59 ASP GLU ASP LYS TRP ASP ASP PHE 0.463636 0.685185
60 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.462687 0.767857
61 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.46087 0.654545
62 GLU THR PHE TYR VAL ASP GLY 0.460177 0.773585
63 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.459854 0.650794
64 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.458333 0.732143
65 ASP PHE SER ILE 0.458333 0.622642
66 GLU VAL ASN 1OL ALA GLU PHE 0.458333 0.76
67 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.458015 0.683333
68 GLU THR LEU GLU ASP SER VAL PHE 0.457447 0.634615
69 VAL TYR 0.45679 0.695652
70 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.455224 0.704918
71 ACE ASN TRP GLU THR PHE 0.454545 0.745455
72 LYS ALC LYS 0.454545 0.666667
73 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.452991 0.86
74 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.452991 0.792453
75 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.451923 0.8125
76 GLY ASN TYR SER PHE TYR ALA LEU 0.45045 0.745455
77 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.449275 0.630769
78 BD5 0.446809 0.75
79 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.446043 0.651515
80 THR PRO ASP TYR PHE LEU 0.444444 0.732143
81 ARG TYR GLY PHE VAL ALA ASN PHE 0.443548 0.741379
82 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.442623 0.606061
83 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.441667 0.654545
84 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.440559 0.605634
85 PHE LEU GLU LYS 0.44 0.647059
86 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.439655 0.661017
87 TI2 0.43956 0.8
88 ALA THR ALA ALA ALA THR GLU ALA TYR 0.438095 0.8125
89 GLU VAL TYR GLU SER 0.436893 0.76
90 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.431818 0.630769
91 ASP ALA GLU PHE ARG HIS ASP 0.431034 0.633333
92 SER GLU LEU GLU ILE LYS ARG TYR 0.430894 0.634921
93 ACE PHE ALA TYR M3L SER NH2 0.429825 0.609375
94 ALA VAL TYR ASN PHE ALA THR MET 0.429752 0.763636
95 LEU ASP GLU PTR VAL ALA THR ARG 0.428571 0.690909
96 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.428571 0.666667
97 THR LYS ASN TYR LYS GLN THR SER VAL 0.428571 0.732143
98 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.426667 0.693548
99 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.426471 0.671875
100 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.42623 0.807692
101 TYR GLY GLY PHE MET 0.425926 0.740741
102 LYS ALA VAL TYR ASN PHE ALA THR MET 0.425197 0.741379
103 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.424779 0.694915
104 THR PHE LYS LYS THR ASN 0.424528 0.716981
105 ACE MET GLU GLU VAL PHE 0.424528 0.611111
106 TYR GLY GLY PHE LEU 0.424528 0.75
107 MET ASN GLU ASN ILE 0.423913 0.693878
108 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.423611 0.617647
109 GLY GLY LYS LYS LYS TYR GLN LEU 0.423423 0.722222
110 CYS THR PHE LYS THR LYS THR ASN 0.422018 0.690909
111 SER ILE ILE GLY PHE GLU LYS LEU 0.421488 0.614035
112 GLU LEU ASP 1OL VAL GLU PHE 0.421488 0.734694
113 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.421429 0.636364
114 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.420635 0.677966
115 VAL ASN ASP ILE PHE GLU ALA ILE 0.420168 0.74
116 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.41958 0.646154
117 CYS THR GLU LEU LYS LEU SER ASP TYR 0.419355 0.684211
118 ASP ALA GLU PHE ARG HIS ASP SER 0.419355 0.633333
119 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.418605 0.706897
120 LYS ALA LEU TYR ASN PHE ALA THR MET 0.418605 0.741379
121 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.418033 0.792453
122 PHE TYR ARG ALA LEU MET 0.418033 0.655738
123 GLU LEU ASP LYS TYR ALA SER 0.413793 0.709091
124 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.411765 0.730769
125 TRP GLU TYR ILE PRO ASN VAL 0.411348 0.641791
126 ALA ARG THR GLU LEU TYR ARG SER LEU 0.41129 0.645161
127 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.411215 0.711538
128 ALA GLN PHE SER ALA SER ALA SER ARG 0.410714 0.610169
129 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.409449 0.792453
130 GLU LEU ARG ARG LYS MET MET TYR MET 0.408333 0.609375
131 TYR GLN SER LYS LEU 0.407407 0.727273
132 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.407143 0.68254
133 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.40678 0.696429
134 ALA TRP LEU PHE GLU ALA 0.40678 0.679245
135 GLU THR VAL ARG PHE GLN SER ASP 0.403101 0.616667
136 LEU ALA ILE TYR SER 0.401869 0.692308
137 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.401869 0.666667
138 ACE LEU PHE PHE GLK CF0 GLU 0.401869 0.686275
139 LYS MET ASN THR GLN PHE THR ALA VAL 0.401575 0.644068
140 ILE ASN PHE ASP PHE ASN THR ILE 0.4 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
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