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 COM TNEFAF 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
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
624.651 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 ALA PHE; Similar ligands found: 82
No: Ligand ECFP6 Tc MDL keys Tc
1 THR ASN GLU PHE ALA PHE 1 1
2 THR ASN GLU PHE TYR PHE 0.731707 0.866667
3 GLU ASN GLN LYS GLU TYR PHE PHE 0.618557 0.764706
4 ASP ALA ASP GLU GLU ASP PHE 0.602273 0.818182
5 ACE VAL PHE PHE ALA GLU ASP NH2 0.574468 0.904762
6 THR ASN GLU TYR TYR VAL 0.555556 0.851064
7 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.554455 0.888889
8 ALA LEU ASP LEU PHE 0.542169 0.790698
9 THR ASN GLU PHE TYR ALA 0.54 0.833333
10 ASP PHE 0.526316 0.8
11 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.518182 0.764706
12 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.517241 0.78
13 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.517241 0.722222
14 ASP ALA GLU PHE ARG HIS ASP 0.504673 0.705882
15 ASP PHE GLU GLU ILE 0.5 0.818182
16 ALA GLU THR PHE 0.5 0.840909
17 THR ASN GLU TYR LYS VAL 0.5 0.730769
18 GLU VAL ASN 1OL ALA GLU PHE 0.487179 0.808511
19 PRO GLU SEP LEU GLU SER CYS PHE 0.486239 0.637931
20 ALA GLN PHE SER ALA SER ALA SER ARG 0.485981 0.672727
21 GLU THR LEU GLU ASP SER VAL PHE 0.483516 0.729167
22 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.483051 0.703704
23 SER GLU ILE GLU PHE ALA ARG LEU 0.483051 0.649123
24 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.480392 0.770833
25 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.479339 0.754717
26 VAL ASN ASP ILE PHE GLU ALA ILE 0.477876 0.826087
27 ALA PHE 0.473684 0.725
28 GLU GLU GLN GLU GLU TYR 0.471264 0.73913
29 SER SER ILE GLU PHE ALA ARG LEU 0.471074 0.637931
30 LEU GLU PHE GLN GLY 0.47 0.729167
31 ACE MET GLU GLU VAL PHE 0.469388 0.68
32 PHE ALA GLN 0.45977 0.85
33 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.459016 0.649123
34 GLY ASN TYR SER PHE TYR ALA LEU 0.449541 0.690909
35 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.448 0.727273
36 ARG ABA GLN ILE PHE ALA ASN ILE 0.444444 0.808511
37 ACE ASN TRP GLU THR PHE 0.444444 0.754717
38 MET ASN GLU ASN ILE 0.443182 0.777778
39 ASP ALA GLU PHE ARG HIS ASP SER 0.442623 0.666667
40 ACE PHE ASP GLU MET GLU GLU CYS 0.441176 0.686275
41 TYR GLN PHE 0.44086 0.8
42 VAL GLN GLN GLU SER SER PHE VAL MET 0.4375 0.685185
43 ALA ALA TRP LEU PHE GLU ALA 0.436975 0.74
44 ALA THR ALA ALA ALA THR GLU ALA TYR 0.436893 0.770833
45 LEU ASP GLU PTR VAL ALA THR ARG 0.436893 0.654545
46 SER PHE ALA ASN GLY 0.434343 0.75
47 ASP ALA ASP GLU TYR LEU 0.433962 0.734694
48 ACE ASP ALA ASP GLU FTY LEU NH2 0.433628 0.654545
49 ACE LEU PHE PHE GLK CF0 GLU 0.431579 0.765957
50 GLU ILE ILE ASN PHE GLU LYS LEU 0.428571 0.76
51 PHE GLU ALA ASN GLY ASN LEU ILE 0.428571 0.76
52 ASP PHE GLU ASP TYR GLU PHE ASP 0.428571 0.77551
53 ACE LEU PHE 0.428571 0.704545
54 SER GLY ILE PHE LEU GLU THR SER 0.427273 0.72549
55 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.427184 0.744681
56 CYS ASP PTR ALA ASN PHE LYS 0.427083 0.844444
57 PHE LEU GLU LYS 0.425743 0.729167
58 SER ILE ILE ASN PHE GLU LYS LEU 0.425 0.716981
59 GLU ASN LEU TYR PHE GLN 0.423423 0.816327
60 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.423077 0.631579
61 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.422414 0.8
62 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.420168 0.625
63 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.418803 0.78
64 ORT PHE 66N 0.417582 0.733333
65 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.416667 0.684211
66 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.413043 0.655738
67 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.412698 0.698113
68 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.412587 0.639344
69 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.411765 0.730769
70 LYS LYS SER LYS THR LYS CYS VAL ILE PHE 0.411215 0.686275
71 ARG GLN ALA ASN PHE LEU GLY LYS 0.409091 0.770833
72 ARG ABA PHE ILE PHE ALA ASN ILE 0.408333 0.754717
73 ACE SER LEU ASN PHE 0.408163 0.72
74 SER SER ARG LYS GLU TYR TYR ALA 0.40708 0.637931
75 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.40678 0.711538
76 PHE LEU ALA TYR LYS 0.405405 0.679245
77 ALA VAL TYR ASN PHE ALA THR MET 0.404959 0.709091
78 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.403846 0.62069
79 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.401869 0.770833
80 ASP GLU ASP LYS TRP ASP ASP PHE 0.401709 0.698113
81 GLU LEU ASP 1OL VAL GLU PHE 0.401639 0.765957
82 SER ILE ILE GLN PHE GLU HIS LEU 0.4 0.672414
Similar Ligands (3D)
Ligand no: 1; Ligand: THR ASN GLU PHE ALA PHE; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback