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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 286 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 209 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 174 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: 109
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 0.866667
3 GLU ASN GLN LYS GLU TYR PHE PHE 0.632653 0.764706
4 ASP PHE GLU GLU ILE 0.588889 0.818182
5 ACE VAL PHE PHE ALA GLU ASP NH2 0.578947 0.904762
6 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.575221 0.722222
7 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.575221 0.78
8 ASP ALA GLU PHE ARG HIS ASP 0.567308 0.705882
9 THR ASN GLU TYR TYR VAL 0.565217 0.851064
10 THR ASN GLU PHE TYR ALA 0.544554 0.833333
11 ACE GLN LEU ASP ALA PHE 0.541667 0.818182
12 SER GLU ILE GLU PHE ALA ARG LEU 0.53913 0.649123
13 LEU GLU PHE GLN GLY 0.536082 0.729167
14 ASP PHE 0.532468 0.825
15 ACE GLN LEU ALA LEU PHE 0.526882 0.795455
16 ALA GLU THR PHE 0.522222 0.840909
17 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.521008 0.754717
18 PHE ALA GLN 0.517647 0.85
19 GLU VAL ASN 1OL ALA GLU PHE 0.517241 0.808511
20 THR ASN GLU TYR LYS VAL 0.514563 0.730769
21 SER SER ILE GLU PHE ALA ARG LEU 0.512605 0.637931
22 ALA LEU ASP LEU PHE 0.511628 0.790698
23 TYR GLN PHE 0.511111 0.8
24 VAL ASN ASP ILE PHE GLU ALA ILE 0.508929 0.826087
25 ACE GLN ALA ASP LEU PHE 0.50505 0.818182
26 ASP PHE GLU ASP TYR GLU PHE ASP 0.504951 0.77551
27 ALA GLN PHE SER ALA SER ALA SER ARG 0.504673 0.672727
28 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.5 0.727273
29 ASP ALA GLU PHE ARG HIS ASP SER 0.495798 0.666667
30 ASP ALA ASP GLU TYR LEU 0.495146 0.734694
31 ARG ABA GLN ILE PHE ALA ASN ILE 0.486957 0.808511
32 SER PHE ALA ASN GLY 0.484536 0.75
33 PHE GLU ALA ASN GLY ASN LEU ILE 0.482759 0.76
34 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.478992 0.703704
35 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.47619 0.770833
36 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.47541 0.649123
37 ACE MET GLU GLU VAL PHE 0.474747 0.68
38 ASP GLU LEU GLU ILE LYS ALA TYR 0.474576 0.654545
39 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.472222 0.75
40 THR TYR LYS PHE PHE GLU GLN 0.472222 0.75
41 GLU ILE ILE ASN PHE GLU LYS LEU 0.470085 0.76
42 VAL GLN GLN GLU SER SER PHE VAL MET 0.468468 0.685185
43 GLU ASN LEU TYR PHE GLN 0.46789 0.816327
44 SER ILE ILE ASN PHE GLU LYS LEU 0.466102 0.716981
45 ALA PHE 0.461538 0.725
46 ARG ABA PHE ILE PHE ALA ASN ILE 0.461538 0.754717
47 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.460938 0.631579
48 MET ASN GLU ASN ILE 0.460674 0.777778
49 GLU GLU GLN GLU GLU TYR 0.460674 0.73913
50 GLU THR LEU GLU ASP SER VAL PHE 0.457447 0.729167
51 ALA THR ALA ALA ALA THR GLU ALA TYR 0.456311 0.770833
52 GLY ASN TYR SER PHE TYR ALA LEU 0.454545 0.690909
53 PHE LEU ALA TYR LYS 0.449541 0.679245
54 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.448529 0.655738
55 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.448276 0.711538
56 LYS MET ASN THR GLN PHE THR ALA VAL 0.448 0.666667
57 PRO GLU SEP LEU GLU SER CYS PHE 0.447368 0.637931
58 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.446809 0.639344
59 ACE PHE ASP GLU MET GLU GLU CYS 0.446602 0.686275
60 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.442623 0.634921
61 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.442308 0.744681
62 GLU LEU ASP 1OL VAL GLU PHE 0.441667 0.765957
63 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.440945 0.622951
64 ARG GLN ALA ASN PHE LEU GLY LYS 0.440367 0.770833
65 ARG ABA VAL ILE PHE ALA ASN ILE 0.438017 0.703704
66 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.436975 0.625
67 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.435897 0.78
68 ACE ASP ALA ASP GLU FTY LEU NH2 0.433628 0.654545
69 ASP ALA ASP GLU FTY LEU NH2 0.433628 0.654545
70 ALA VAL TYR ASN PHE ALA THR MET 0.433333 0.709091
71 GLU GLN TYR LYS PHE TYR SER VAL 0.432203 0.709091
72 LYS ALA VAL PHE ASN PHE ALA THR MET 0.430894 0.714286
73 LEU ASP GLU PTR VAL ALA THR ARG 0.428571 0.654545
74 ARG TYR GLY PHE VAL ALA ASN PHE 0.425197 0.689655
75 ACE ASN TRP GLU THR PHE 0.425 0.754717
76 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.423729 0.644068
77 SEP GLN GLU PTR 0.423077 0.614035
78 SER HIS PHE ASN GLU TYR GLU 0.420635 0.672414
79 ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO 0.420561 0.791667
80 LYS ALA LEU TYR ASN PHE ALA THR MET 0.419847 0.677966
81 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.418605 0.714286
82 SER GLN ASN TYR 0.418367 0.74
83 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.416667 0.730769
84 LYS LYS SER LYS THR LYS CYS VAL ILE PHE 0.416667 0.686275
85 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.416 0.711538
86 LEU ALA SER LEU GLU SER GLN SER 0.415842 0.68
87 LYS ALA VAL TYR ASN PHE ALA THR MET 0.415385 0.677966
88 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.415254 0.8
89 GLU LEU ASP LYS TYR ALA SER 0.415254 0.642857
90 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.415094 0.744681
91 SER LEU PHE ASN THR VAL ALA THR LEU 0.411765 0.72
92 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.411765 0.754717
93 SER LEU ARG PHE LEU TYR GLU GLY 0.41129 0.639344
94 ARG GLU ALA ALA 0.410526 0.627451
95 THR PHE LYS LYS THR ASN 0.407407 0.745098
96 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.40566 0.62069
97 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.404762 0.616667
98 ALA GLU ALA ALA GLN ALA 0.404255 0.761905
99 SER ASP TYR GLN ARG LEU 0.403509 0.62069
100 SER ILE ILE GLY PHE GLU LYS LEU 0.403226 0.698113
101 CYS VAL PHE MET 0.401961 0.693878
102 CYS THR PHE LYS THR LYS THR ASN 0.401786 0.730769
103 GLY ASN PHE LEU GLN SER ARG 0.401639 0.655172
104 SER SER ARG LYS GLU TYR TYR ALA 0.4 0.637931
105 VAL ALA PHE ARG SER 0.4 0.6
106 ACE PTR GLU DIP 0.4 0.618182
107 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.4 0.722222
108 ACE SER LEU ASN PHE 0.4 0.72
109 PPN GLU ALA NLE SER 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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