Receptor
PDB id Resolution Class Description Source Keywords
1W9Q 1.7 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE PDZ TANDEM OF HUMAN SYNTENIN IN COMPLEX WITH TNEFAF 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 PHE ALA PHE S:2;
Valid;
none;
submit data
625.659 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 ALA PHE; Similar ligands found: 124
No: Ligand ECFP6 Tc MDL keys Tc
1 THR ASN GLU PHE ALA PHE 1 1
2 THR ASN GLU PHE TYR PHE 0.738095 0.863636
3 GLU ASN GLN LYS GLU TYR PHE PHE 0.65625 0.77551
4 ACE VAL PHE PHE ALA GLU ASP NH2 0.589474 0.902439
5 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.585586 0.76
6 ASP PHE GLU GLU ILE 0.582418 0.813953
7 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.571429 0.703704
8 THR ASN GLU TYR TYR VAL 0.565217 0.847826
9 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.553398 0.866667
10 THR ASN GLU PHE TYR ALA 0.539216 0.8125
11 LEU GLU PHE GLN GLY 0.536082 0.744681
12 SER GLU ILE GLU PHE ALA ARG LEU 0.535088 0.631579
13 GLU VAL ASN 1OL ALA GLU PHE 0.535088 0.787234
14 ALA GLU THR PHE 0.533333 0.795455
15 ASP PHE 0.532468 0.769231
16 THR ASN GLU TYR LYS VAL 0.524752 0.74
17 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.521277 0.804348
18 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.521008 0.735849
19 ALA LEU ASP LEU PHE 0.511628 0.785714
20 VAL ASN ASP ILE PHE GLU ALA ILE 0.508929 0.804348
21 SER SER ILE GLU PHE ALA ARG LEU 0.508475 0.62069
22 TYR GLN PHE 0.505495 0.818182
23 ALA GLN PHE SER ALA SER ALA SER ARG 0.504762 0.654545
24 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.5 0.772727
25 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.5 0.709091
26 ASP ALA ASP GLU TYR LEU 0.5 0.729167
27 ASP ALA GLU PHE ARG HIS ASP SER 0.491525 0.678571
28 SER ILE ILE ASN PHE GLU LYS LEU 0.491228 0.698113
29 GLU ILE ILE ASN PHE GLU LYS LEU 0.491228 0.755102
30 ASP PHE GLU ASP TYR GLU PHE ASP 0.490196 0.782609
31 ACE GLN LEU ASP ALA PHE 0.485437 0.837209
32 PHE LEU GLU LYS 0.484536 0.73913
33 SER PHE ALA ASN GLY 0.484536 0.729167
34 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.483051 0.698113
35 ASP GLU LEU GLU ILE LYS ALA TYR 0.482759 0.660377
36 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.481203 0.616667
37 PHE GLU ALA ASN GLY ASN LEU ILE 0.478632 0.74
38 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.476636 0.745098
39 GLU ASN LEU TYR PHE GLN 0.476636 0.795918
40 THR TYR LYS PHE PHE GLU GLN 0.476636 0.745098
41 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.47541 0.654545
42 ARG VAL LEU PHE GLU ALA MET 0.475 0.603448
43 ACE GLN LEU ALA LEU PHE 0.474747 0.813953
44 ARG ABA GLN ILE PHE ALA ASN ILE 0.474138 0.787234
45 GLU GLU GLN GLU GLU TYR 0.471264 0.733333
46 VAL GLN GLN GLU SER SER PHE VAL MET 0.468468 0.666667
47 ALA PHE 0.461538 0.666667
48 PHE LEU ALA TYR LYS 0.457944 0.686275
49 ALA ALA TRP LEU PHE GLU ALA 0.457627 0.734694
50 GLU THR LEU GLU ASP SER VAL PHE 0.457447 0.6875
51 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.457364 0.625
52 ACE GLN ALA ASP LEU PHE 0.457143 0.837209
53 MET ASN GLU ASN ILE 0.455556 0.755556
54 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.453782 0.673077
55 ACE MET GLU GLU VAL PHE 0.451923 0.693878
56 ALA THR ALA ALA ALA THR GLU ALA TYR 0.451923 0.729167
57 GLY ASN TYR SER PHE TYR ALA LEU 0.45045 0.672727
58 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.449612 0.644068
59 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.448276 0.673077
60 GLU GLN TYR LYS PHE TYR SER VAL 0.447368 0.690909
61 PRO GLU SEP LEU GLU SER CYS PHE 0.447368 0.603448
62 LYS MET ASN THR GLN PHE THR ALA VAL 0.447154 0.660714
63 GLU LEU ASP 1OL VAL GLU PHE 0.445378 0.76087
64 ARG ABA PHE ILE PHE ALA ASN ILE 0.444444 0.735849
65 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.444444 0.639344
66 ASP ALA GLU PHE ARG HIS ASP 0.443478 0.678571
67 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.443478 0.636364
68 PPN GLU ALA NLE SER 0.443299 0.618182
69 ASP PHE SER ILE 0.443299 0.673469
70 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.442623 0.619048
71 ACE ASP ALA ASP GLU FTY LEU NH2 0.438596 0.648148
72 LYS ALC LYS 0.438202 0.727273
73 ASP ALA ASP GLU FTY LEU NH2 0.438095 0.660377
74 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.438095 0.729167
75 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.436508 0.633333
76 ARG ABA VAL ILE PHE ALA ASN ILE 0.433333 0.685185
77 ACE ASN TRP GLU THR PHE 0.430894 0.735849
78 LEU ASP GLU PTR VAL ALA THR ARG 0.428571 0.648148
79 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.428571 0.76087
80 ARG GLN ALA ASN PHE LEU GLY LYS 0.427273 0.75
81 GLU GLN ASP LYS TRP ALA SER 0.42623 0.660714
82 LYS ALA VAL PHE ASN PHE ALA THR MET 0.42623 0.709091
83 GLU LEU ASP LYS TYR ALA SER 0.426087 0.636364
84 VAL ALA PHE ARG SER 0.425926 0.611111
85 ASP GLU ASP LYS TRP ASP ASP PHE 0.424779 0.705882
86 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.423729 0.755102
87 SEP GLN GLU PTR 0.423077 0.625
88 SER ILE ILE GLY PHE GLU LYS LEU 0.421488 0.660377
89 SER HIS PHE ASN GLU TYR GLU 0.420635 0.655172
90 ARG TYR GLY PHE VAL ALA ASN PHE 0.420635 0.672414
91 GLU LEU GLU LYS TRP ALA SER 0.420168 0.603448
92 ALA GLU ALA ALA GLN ALA 0.419355 0.780488
93 SER LEU PHE ASN THR VAL ALA THR LEU 0.418803 0.7
94 LYS ALA LEU TYR ASN PHE ALA THR MET 0.418605 0.672414
95 SER GLN ASN TYR 0.418367 0.72
96 ALA VAL TYR ASN PHE ALA THR MET 0.418033 0.690909
97 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.415254 0.735849
98 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.415094 0.723404
99 ACE LEU PHE PHE GLK CF0 GLU 0.415094 0.744681
100 LYS ALA VAL TYR ASN PHE ALA THR MET 0.414062 0.672414
101 SER LEU PHE ASN THR ILE ALA VAL LEU 0.413223 0.705882
102 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.413223 0.648148
103 LYS LYS SER LYS THR LYS CYS VAL ILE PHE 0.412844 0.647059
104 ACE SER LEU ASN PHE 0.411765 0.7
105 THR PHE LYS LYS THR ASN 0.411215 0.74
106 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.411215 0.770833
107 CYS THR PHE LYS THR LYS THR ASN 0.409091 0.711538
108 ALA GLU THR PHE TYR VAL ASP GLY 0.408696 0.755102
109 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.408333 0.72549
110 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.407407 0.703704
111 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.407143 0.619048
112 ALA TRP LEU PHE GLU ALA 0.40678 0.734694
113 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.406504 0.696429
114 GLU ASN ASP LYS TRP ALA SER 0.406504 0.678571
115 LEU ALA SER LEU GLU SER GLN SER 0.405941 0.66
116 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.40566 0.631579
117 SER SER ARG LYS GLU TYR TYR ALA 0.405405 0.649123
118 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.40458 0.696429
119 ARG GLU ALA ALA 0.404255 0.64
120 GLU LEU ASP LYS TRP ALA ASN 0.403226 0.690909
121 SER ASP TYR GLN ARG LEU 0.401786 0.631579
122 SER GLN TYR TYR TYR ASN SER LEU 0.4 0.735849
123 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.4 0.627119
124 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.4 0.610169
Similar Binding Sites (Proteins are less than 50% similar to leader)
Feedback