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 COM TNEYKV 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 TYR LYS VAL S:2;
T:2;
Valid;
Valid;
none;
none;
submit data
650.71 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 TYR LYS VAL; Similar ligands found: 112
No: Ligand ECFP6 Tc MDL keys Tc
1 THR ASN GLU TYR LYS VAL 1 1
2 THR ASN GLU TYR TYR VAL 0.819277 0.865385
3 GLU ASN GLN LYS GLU TYR PHE PHE 0.731959 0.886792
4 THR LYS ASN TYR LYS GLN THR SER VAL 0.642857 0.925926
5 THR LYS ASN TYR LYS GLN PHE SER VAL 0.633027 0.909091
6 GLU GLN TYR LYS PHE TYR SER VAL 0.633027 0.890909
7 THR ASN GLU PHE TYR PHE 0.62766 0.807692
8 SER SER ARG LYS GLU TYR TYR ALA 0.619048 0.779661
9 ASN LYS ASP LYS GLU TYR TYR VAL ANS 0.561538 0.609756
10 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.544643 0.877193
11 GLY GLY LYS LYS LYS TYR GLN LEU 0.522523 0.886792
12 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.519685 0.892857
13 THR ASN GLU PHE TYR ALA 0.513761 0.814815
14 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.512821 0.907407
15 GLY GLY LYS LYS LYS TYR LYS LEU 0.504673 0.886792
16 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.504065 0.925926
17 THR ASN GLU PHE ALA PHE 0.5 0.730769
18 ASP GLU LEU GLU ILE LYS ALA TYR 0.5 0.90566
19 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.496063 0.839286
20 SER ASP TYR GLN ARG LEU 0.495495 0.824561
21 ALA MET TYR LYS 0.495146 0.818182
22 GLU GLU GLN GLU GLU TYR 0.494624 0.8
23 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.488372 0.786885
24 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.486239 0.792453
25 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.484615 0.816667
26 GLU VAL TYR GLU SER 0.481132 0.846154
27 SER GLU LEU GLU ILE LYS ARG TYR 0.480315 0.803279
28 SER ILE ILE ASN PHE GLU LYS LEU 0.479675 0.836364
29 LYS TYR LYS 0.479167 0.843137
30 GLU LEU ASP LYS TYR ALA SER 0.478992 0.888889
31 THR PHE LYS LYS THR ASN 0.477064 0.867925
32 LEU PRO PRO PRO GLU SER GLU SER LYS VAL 0.476636 0.728814
33 GLY GLY ARG LYS LYS TYR LYS LEU 0.474576 0.79661
34 GLY GLY LYS LYS LYS TYR ARG LEU 0.474576 0.79661
35 GLY GLY LYS LYS ARG TYR LYS LEU 0.474576 0.79661
36 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.473684 0.79661
37 GLU LEU ARG ARG LYS MET MET TYR MET 0.472 0.746032
38 GLU ILE ILE ASN PHE GLU LYS LEU 0.471545 0.849057
39 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.468531 0.727273
40 CYS THR GLU LEU LYS LEU SER ASP TYR 0.464567 0.890909
41 ALA ARG THR GLU LEU TYR ARG SER LEU 0.464567 0.786885
42 TYR GLN SER LYS LEU 0.463636 0.924528
43 ACE VAL LYS GLU SER LEU VAL 0.462264 0.792453
44 GLU LEU LYS TPO GLU ARG TYR 0.462121 0.716418
45 ALA GLU THR PHE TYR VAL ASP GLY 0.461538 0.814815
46 CYS THR PHE LYS THR LYS THR ASN 0.45614 0.851852
47 ASP ALA ASP GLU TYR LEU 0.455357 0.826923
48 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.455285 0.851852
49 GLU LEU ASN ARG LYS MET ILE TYR MET 0.453901 0.793651
50 GLU LEU LYS ARG LYS MET ILE TYR MET 0.451852 0.746032
51 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.451128 0.844828
52 ASP PHE GLU ASP TYR GLU PHE ASP 0.45045 0.763636
53 ASP PHE GLU GLU ILE 0.447619 0.730769
54 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.447552 0.742424
55 ACE ILE TYR GLU SER LEU 0.446429 0.833333
56 ACE 1PA GLU GLU ILE 0.441176 0.679245
57 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.440559 0.727273
58 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.439189 0.803279
59 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.439024 0.872727
60 GLY ASP GLU VAL LYS VAL PHE ARG 0.438462 0.741379
61 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.438462 0.833333
62 MET ASN GLU ASN ILE 0.4375 0.698113
63 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.43609 0.783333
64 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.435897 0.759259
65 GLY LEU TYR ALA SER LYS LEU ALA 0.435897 0.888889
66 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.434426 0.737705
67 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.434109 0.839286
68 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.432836 0.859649
69 LEU ASP GLU PTR VAL ALA THR ARG 0.432432 0.711864
70 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.430657 0.766667
71 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.430556 0.742424
72 ARG ARG GLU VAL HIS THR TYR TYR 0.427536 0.742424
73 PHE LEU ALA TYR LYS 0.42735 0.867925
74 PHE LEU SER TYR LYS 0.42735 0.872727
75 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.427273 0.704918
76 LEU GLU LYS ALA ARG GLY SER THR TYR 0.426573 0.790323
77 GLY SER TYR LEU VAL THR SER VAL 0.426087 0.818182
78 GLN SER TYR TPO VAL 0.422414 0.754098
79 GLU ASN LEU TYR PHE GLN 0.420168 0.867925
80 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.420168 0.689655
81 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.419847 0.821429
82 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.419355 0.851852
83 ACE ALA ARG THR GLU VAL TYR NH2 0.419355 0.842105
84 TRP GLU TYR ILE PRO ASN VAL 0.418919 0.720588
85 SER ILE ILE GLY PHE GLU LYS LEU 0.418605 0.818182
86 DLY DTY DLY DLY DAL DLE ZDC 0.418033 0.783333
87 GLY SER LYS MET GLU GLU VAL ASP 0.417391 0.7
88 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.416 0.844828
89 SER LEU ARG PHE LEU TYR GLU GLY 0.415385 0.774194
90 ARG ARG ARG GLU THR GLN VAL 0.414414 0.711864
91 SER GLN TYR TYR TYR ASN SER LEU 0.413793 0.839286
92 ALA LYS GLU LYS SER ASP 0.411765 0.740741
93 ASP GLU ASP LYS TRP ASP ASP PHE 0.41129 0.694915
94 CYS ASP PTR ALA ASN PHE LYS 0.409524 0.86
95 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.409449 0.7
96 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.409449 0.854545
97 PHE LEU GLU LYS 0.409091 0.823529
98 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.408451 0.671642
99 LYS MET ASN THR GLN PHE THR ALA VAL 0.407407 0.810345
100 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.406897 0.753846
101 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.406667 0.746269
102 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.405797 0.79661
103 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.404762 0.8
104 ASP SEP TYR GLU VAL LEU ASP LEU 0.404412 0.709677
105 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.403614 0.609756
106 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.403101 0.87037
107 SER HIS PHE ASN GLU TYR GLU 0.402985 0.725806
108 ASP ARG VAL TYR 0.401869 0.826923
109 GLY GLU GLU GLU GLY GLU CYS TYR 0.401786 0.846154
110 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.40146 0.701493
111 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.401361 0.790323
112 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.4 0.733333
Similar Ligands (3D)
Ligand no: 1; Ligand: THR ASN GLU TYR LYS VAL; 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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