Receptor
PDB id Resolution Class Description Source Keywords
1V1T 1.8 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE PDZ TANDEM OF HUMAN SYNTENIN IN COMPLEX WITH TNEYKV 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
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 TYR LYS VAL S:2;
T:2;
Valid;
Valid;
none;
none;
submit data
651.718 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 TYR LYS VAL; Similar ligands found: 154
No: Ligand ECFP6 Tc MDL keys Tc
1 THR ASN GLU TYR LYS VAL 1 1
2 THR ASN GLU TYR TYR VAL 0.853659 0.88
3 GLU ASN GLN LYS GLU TYR PHE PHE 0.739583 0.882353
4 GLU GLN TYR LYS PHE TYR SER VAL 0.696078 0.854545
5 THR ASN GLU PHE TYR PHE 0.655914 0.82
6 THR LYS ASN TYR LYS GLN THR SER VAL 0.648148 0.888889
7 THR LYS ASN TYR LYS GLN PHE SER VAL 0.626168 0.872727
8 SER SER ARG LYS GLU TYR TYR ALA 0.607843 0.775862
9 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.601626 0.707692
10 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.596154 0.849057
11 THR TYR LYS PHE PHE GLU GLN 0.596154 0.849057
12 ASP GLU LEU GLU ILE LYS ALA TYR 0.565217 0.901961
13 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.552846 0.857143
14 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.536585 0.803571
15 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.536364 0.842105
16 ASP PHE GLU GLU ILE 0.535354 0.74
17 LYS TYR LYS 0.533333 0.836735
18 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.525 0.888889
19 THR ASN GLU PHE ALA PHE 0.524752 0.74
20 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.524194 0.783333
21 SER ILE ILE ASN PHE GLU LYS LEU 0.521368 0.8
22 ASP ALA ASP GLU TYR LEU 0.518868 0.84
23 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.515873 0.762712
24 THR ASN GLU PHE TYR ALA 0.513761 0.811321
25 SER ASP TYR GLN ARG LEU 0.513761 0.821429
26 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.513043 0.851852
27 GLU GLU GLN GLU GLU TYR 0.511111 0.8125
28 TYR GLN SER LYS LEU 0.509434 0.886792
29 ASP PHE GLU ASP TYR GLU PHE ASP 0.509434 0.784314
30 GLY GLY LYS LYS LYS TYR GLN LEU 0.509091 0.884615
31 GLU LEU ASP LYS TYR ALA SER 0.508772 0.867925
32 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.508621 0.836364
33 GLU ILE ILE ASN PHE GLU LYS LEU 0.508475 0.826923
34 SER GLU LEU GLU ILE LYS ARG TYR 0.508197 0.770492
35 GLU VAL TYR GLU SER 0.5 0.823529
36 GLU LEU ARG ARG LYS MET MET TYR MET 0.5 0.741935
37 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.495935 0.830189
38 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.49505 0.84
39 ALA GLU THR PHE TYR VAL ASP GLY 0.491228 0.792453
40 GLY GLY LYS LYS LYS TYR LYS LEU 0.490566 0.865385
41 TRP GLU TYR ILE PRO ASN VAL 0.489209 0.716418
42 GLU LEU LYS TPO GLU ARG TYR 0.488 0.712121
43 ALA ARG THR GLU LEU TYR ARG SER LEU 0.487805 0.754098
44 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.485507 0.766667
45 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.485294 0.69697
46 CYS THR GLU LEU LYS LEU SER ASP TYR 0.483871 0.836364
47 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.480315 0.779661
48 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.475 0.830189
49 GLU LEU ASN ARG LYS MET ILE TYR MET 0.474074 0.761905
50 GLU LEU LYS ARG LYS MET ILE TYR MET 0.472868 0.741935
51 SER GLN TYR TYR TYR ASN SER LEU 0.472727 0.803571
52 GLN SER TYR TPO VAL 0.472727 0.721311
53 THR PHE LYS LYS THR ASN 0.472222 0.846154
54 ASP TRP GLU ILE VAL 0.469565 0.666667
55 GLU ASN LEU TYR PHE GLN 0.469027 0.865385
56 CYS THR PHE LYS THR LYS THR ASN 0.468468 0.814815
57 ACE ILE TYR GLU SER LEU 0.46789 0.796296
58 SEP GLN GLU TYR NH2 0.466667 0.711864
59 ASP SEP TYR GLU VAL LEU ASP LEU 0.465116 0.716667
60 PHE LEU SER TYR LYS 0.464286 0.818182
61 PHE LEU ALA TYR LYS 0.464286 0.862745
62 MET ASN GLU ASN ILE 0.463158 0.692308
63 ACE VAL LYS GLU SER LEU VAL 0.462264 0.735849
64 ASN LYS PTR GLY ASN CA 0.46087 0.698413
65 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.459259 0.714286
66 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.458716 0.84
67 GLY GLY LYS LYS ARG TYR LYS LEU 0.456897 0.793103
68 GLY GLY ARG LYS LYS TYR LYS LEU 0.456897 0.793103
69 GLY GLY LYS LYS LYS TYR ARG LEU 0.456897 0.793103
70 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.453704 0.728814
71 LYS MET ASN THR GLN PHE THR ALA VAL 0.453125 0.789474
72 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.452381 0.785714
73 SER ILE ILE GLY PHE GLU LYS LEU 0.451613 0.763636
74 TYR GLU TRP 0.449541 0.678571
75 LEU GLU LYS ALA ARG GLY SER THR TYR 0.449275 0.758065
76 ALA LYS GLU LYS SER ASP 0.44898 0.666667
77 PHE LEU GLU LYS 0.447619 0.816327
78 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.447154 0.818182
79 ASP ALA ASP GLU FTY LEU NH2 0.445455 0.616667
80 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.444444 0.833333
81 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.443609 0.824561
82 SER GLN ASN TYR 0.441176 0.792453
83 PHE ARG TYR LEU GLY 0.440678 0.762712
84 LEU GLU PHE GLN GLY 0.440367 0.784314
85 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.439716 0.712121
86 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.439394 0.762712
87 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.438849 0.71875
88 LYS GLU LYS 0.438202 0.693878
89 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.43662 0.704918
90 LEU ASP GLU PTR VAL ALA THR ARG 0.436364 0.719298
91 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.435897 0.754717
92 TYR GLN PHE 0.435644 0.78
93 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.434211 0.666667
94 ARG ARG ARG GLU THR GLN VAL 0.433962 0.701754
95 ACE ALA ARG THR GLU VAL TYR NH2 0.433333 0.807018
96 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.432258 0.692308
97 LYS ALA VAL TYR ASN LEU ALA THR MET 0.431818 0.857143
98 LYS ALA VAL TYR ASN PHE ALA THR MET 0.431818 0.827586
99 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.431034 0.666667
100 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.429688 0.8
101 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.42963 0.762712
102 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.429577 0.758065
103 SER HIS PHE ASN GLU TYR GLU 0.427481 0.693548
104 GLY ASP GLU VAL LYS VAL PHE ARG 0.425197 0.736842
105 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.425 0.75
106 VAL GLN GLN GLU SER SER PHE VAL MET 0.425 0.706897
107 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.422764 0.745763
108 ASP PHE M3L THR ASP 0.422414 0.721311
109 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.421429 0.737705
110 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.419847 0.846154
111 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.419118 0.737705
112 GLU THR PHE TYR VAL ASP GLY 0.418033 0.8
113 ALA GLU THR PHE 0.417476 0.76
114 TYR ASP GLN ILE LEU 0.417391 0.86
115 GLY LEU MET TRP LEU SER TYR PHE VAL 0.417266 0.666667
116 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.415385 0.681818
117 ACE ARG GLU PTR VAL ASN VAL 0.415385 0.707692
118 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.414966 0.707692
119 LYS ALA LEU TYR ASN PHE ALA THR MET 0.414815 0.827586
120 SER LEU TYR ASN THR VAL ALA THR LEU 0.414634 0.796296
121 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.414062 0.762712
122 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.413793 0.684211
123 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.413534 0.716667
124 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.412162 0.727273
125 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.411348 0.714286
126 SER LEU TYR ASN VAL VAL ALA THR LEU 0.41129 0.796296
127 LEU ALA ILE TYR SER 0.410714 0.754717
128 GLY LEU TYR ALA SER LYS LEU ALA 0.410256 0.833333
129 MET ASN TYR ASP ILE 0.41 0.78
130 ASP GLU ASP LYS TRP ASP ASP PHE 0.408333 0.684211
131 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.408 0.777778
132 ASP ASP LEU TYR GLY 0.407407 0.826923
133 ACE VAL PHE PHE ALA GLU ASP NH2 0.40708 0.74
134 ALA THR ALA ALA ALA THR GLU ALA TYR 0.40708 0.803922
135 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.406897 0.692308
136 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.40678 0.807692
137 GLU LYS VAL HIS VAL GLN 0.40678 0.763636
138 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.406015 0.677419
139 ASP GLU THR ASN LEU 0.40566 0.75
140 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.405405 0.703125
141 ARG GLU ASP GLN GLU THR ALA VAL 0.405405 0.745098
142 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.404762 0.677966
143 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.403101 0.745455
144 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.402985 0.789474
145 LYS ALC LYS 0.402062 0.734694
146 ACE PHE ALA TYR M3L SER NH2 0.401639 0.6875
147 ALA THR VAL ARG THR TYR SER CYS 0.4 0.75
148 ASN ASN LEU GLN ASP GLY THR GLU VAL 0.4 0.76
149 SER LEU TYR ASN THR ILE ALA THR LEU 0.4 0.8
150 GLU GLN ASP LYS TRP ALA SER 0.4 0.7
151 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.4 0.707692
152 VAL TYR 0.4 0.729167
153 GLU THR VAL ARG PHE GLN SER ASP 0.4 0.728814
154 GLU ALA ASP LYS TRP GLN SER 0.4 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
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