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 COM TNEFYF PEPTIDE HOMO SAPIENS CELL ADHESION ADHESION-COMPLEX PDZ DOMAIN SCAFFOLDING PROSIGNALING 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
716.748 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 COM TNEYYV PEPTIDE HOMO SAPIENS CELL ADHESION ADHESION-COMPLEX PDZ DOMAIN SCAFFOLDING PRO
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 289 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 214 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 181 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 (2D)
Ligand no: 1; Ligand: THR ASN GLU PHE TYR PHE; Similar ligands found: 112
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 0.825581 0.88
3 THR ASN GLU PHE ALA PHE 0.731707 0.866667
4 THR ASN GLU TYR TYR VAL 0.707317 0.93617
5 GLU GLU GLN GLU GLU TYR 0.662338 0.866667
6 THR ASN GLU TYR LYS VAL 0.62766 0.807692
7 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.623656 0.854167
8 THR ASN GLU PHE TYR ALA 0.621053 0.916667
9 TYR GLN PHE 0.595238 0.931818
10 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.585859 0.893617
11 ASP PHE GLU ASP TYR GLU PHE ASP 0.5625 0.857143
12 ASP PHE 0.546667 0.727273
13 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.530435 0.86
14 ALA LEU ASP LEU PHE 0.52381 0.6875
15 GLY GLU GLU GLU GLY GLU CYS TYR 0.520833 0.8
16 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.520833 0.689655
17 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.519608 0.735849
18 GLU ASN LEU TYR PHE GLN 0.519231 0.897959
19 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.513761 0.88
20 SER HIS PHE ASN GLU TYR GLU 0.512821 0.77193
21 SER GLN ASN TYR 0.505495 0.857143
22 SER ASP TYR GLN ARG LEU 0.504854 0.689655
23 ALA GLU THR PHE 0.5 0.808511
24 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.5 0.807692
25 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.495726 0.777778
26 ALA GLU THR PHE TYR VAL ASP GLY 0.495327 0.877551
27 TYR GLU TRP 0.494949 0.82
28 ASP PHE GLU GLU ILE 0.484211 0.714286
29 ASP ALA ASP GLU GLU ASP PHE 0.484211 0.75
30 GLU THR LEU GLU ASP SER VAL PHE 0.483516 0.673077
31 GLU GLN TYR LYS PHE TYR SER VAL 0.477876 0.781818
32 THR LYS ASN TYR LYS GLN PHE SER VAL 0.477876 0.8
33 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.474576 0.796296
34 SER SER ARG LYS GLU TYR TYR ALA 0.472222 0.706897
35 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.471545 0.785714
36 ACE ASN TRP GLU THR PHE 0.469565 0.763636
37 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.467213 0.830189
38 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.464286 0.666667
39 VAL TYR 0.4625 0.723404
40 THR PRO ASP TYR PHE LEU 0.461538 0.724138
41 ASP ALA ASP GLU TYR LEU 0.461538 0.816327
42 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.459677 0.688525
43 LEU GLU PHE GLN GLY 0.455446 0.641509
44 SER LEU ARG PHE LEU TYR GLU GLY 0.453782 0.704918
45 ACE ILE TYR GLU SER LEU 0.451923 0.754717
46 ASP GLU ASP LYS TRP ASP ASP PHE 0.451327 0.678571
47 GLY ASN TYR SER PHE TYR ALA LEU 0.449541 0.763636
48 TI2 0.449438 0.782609
49 GLU GLU ASN ASP PRO ASP TYR 0.448598 0.7
50 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.448276 0.811321
51 SER GLN TYR TYR TYR ASN SER LEU 0.443396 0.830189
52 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.442623 0.672414
53 PHE ARG TYR LEU GLY 0.441441 0.694915
54 ACE PHE ASP GLU MET GLU GLU CYS 0.441176 0.607143
55 BD5 0.44086 0.734694
56 SEP GLN GLU TYR NH2 0.44 0.701754
57 ACE MET GLU GLU VAL PHE 0.44 0.6
58 VAL GLN GLN GLU SER SER PHE VAL MET 0.4375 0.637931
59 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.437037 0.646154
60 LEU ASP GLU PTR VAL ALA THR ARG 0.436893 0.696429
61 ACE VAL PHE PHE ALA GLU ASP NH2 0.436893 0.787234
62 ALA PHE 0.435897 0.622222
63 TYR PHE SER SEP ASN 0.435185 0.736842
64 ASP ASP ASP ASP TYR 0.431818 0.844444
65 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.431034 0.830189
66 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.42735 0.740741
67 SER GLY ILE PHE LEU GLU THR SER 0.427273 0.703704
68 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.425373 0.7
69 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.425197 0.677966
70 SER ILE ILE ASN PHE GLU LYS LEU 0.425 0.666667
71 ASP ALA GLU PHE ARG HIS ASP 0.424779 0.625
72 KI2 PHE GLU GLU NH2 0.424528 0.803922
73 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.423358 0.721311
74 ALA THR ALA ALA ALA THR GLU ALA TYR 0.423077 0.854167
75 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.422535 0.704918
76 GLU THR PHE TYR VAL ASP GLY 0.421053 0.811321
77 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.418803 0.690909
78 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.41844 0.656716
79 PHE LEU SER TYR LYS 0.418182 0.763636
80 PHE LEU ALA TYR LYS 0.418182 0.754717
81 GLU VAL TYR GLU SER 0.417476 0.764706
82 ALA VAL TYR ASN PHE ALA THR MET 0.416667 0.781818
83 GLU ILE ILE ASN PHE GLU LYS LEU 0.416667 0.672727
84 ACE LEU PHE PHE GLK CF0 GLU 0.416667 0.74
85 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.415094 0.722222
86 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.414634 0.75
87 GLU VAL ASN 1OL ALA GLU PHE 0.414634 0.78
88 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.414286 0.640625
89 CYS ASP PTR ALA ASN PHE LYS 0.412371 0.74
90 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.411348 0.6875
91 MET ASN GLU ASN ILE 0.411111 0.714286
92 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.410853 0.741379
93 GLY GLY LYS LYS LYS TYR GLN LEU 0.410714 0.709091
94 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.410448 0.640625
95 ARG TYR GLY PHE VAL ALA ASN PHE 0.409449 0.758621
96 ACE PHE ALA TYR M3L SER NH2 0.409091 0.630769
97 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.408696 0.711864
98 LYS TYR LYS 0.408602 0.76
99 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.40678 0.754717
100 THR LYS ASN TYR LYS GLN THR SER VAL 0.406504 0.75
101 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.404959 0.639344
102 SEP GLN GLU PTR 0.403846 0.684211
103 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.403846 0.76
104 ALA MET TYR LYS 0.401961 0.678571
105 THR PHE LYS LYS THR ASN 0.401869 0.722222
106 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.401869 0.711538
107 FME TYR PHE ILE ASN ILE LEU THR LEU 0.401575 0.785714
108 ALA ARG THR GLU LEU TYR ARG SER LEU 0.4 0.66129
109 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.4 0.653846
110 SER ILE ILE GLN PHE GLU HIS LEU 0.4 0.655738
111 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.4 0.672131
112 GLY TYR 0.4 0.729167
Similar Ligands (3D)
Ligand no: 1; Ligand: THR ASN GLU PHE TYR PHE; 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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