Receptor
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
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 TYR VAL S:2;
T:2;
Valid;
Valid;
none;
none;
Kd = 0.74 mM
684.703 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 TYR VAL; Similar ligands found: 75
No: Ligand ECFP6 Tc MDL keys Tc
1 THR ASN GLU TYR TYR VAL 1 1
2 THR ASN GLU TYR LYS VAL 0.819277 0.865385
3 THR ASN GLU PHE TYR PHE 0.707317 0.93617
4 GLU ASN GLN LYS GLU TYR PHE PHE 0.597938 0.830189
5 GLU GLU GLN GLU GLU TYR 0.575 0.8125
6 THR ASN GLU PHE ALA PHE 0.555556 0.851064
7 THR ASN GLU PHE TYR ALA 0.535354 0.938776
8 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.520408 0.916667
9 GLU VAL TYR GLU SER 0.515789 0.823529
10 THR LYS ASN TYR LYS GLN PHE SER VAL 0.513761 0.854545
11 GLU GLN TYR LYS PHE TYR SER VAL 0.513761 0.836364
12 THR LYS ASN TYR LYS GLN THR SER VAL 0.513274 0.803571
13 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.512821 0.886792
14 MET ASN GLU ASN ILE 0.506024 0.74
15 SER ASP TYR GLN ARG LEU 0.5 0.741379
16 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.495495 0.865385
17 SER SER ARG LYS GLU TYR TYR ALA 0.495238 0.728814
18 ALA GLU THR PHE TYR VAL ASP GLY 0.490566 0.938776
19 ACE ILE TYR GLU SER LEU 0.49 0.811321
20 LEU ASP GLU PTR VAL ALA THR ARG 0.489796 0.75
21 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.486239 0.66129
22 ASP ALA ASP GLU TYR LEU 0.485149 0.877551
23 GLN SER TYR TPO VAL 0.475728 0.733333
24 ACE 1PA GLU GLU ILE 0.472527 0.686275
25 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.470085 0.851852
26 LYS LYS ALA THR GLN ALA SEP GLN GLU TYR 0.469388 0.683333
27 ASP PHE GLU ASP TYR GLU PHE ASP 0.465347 0.843137
28 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.462264 0.877551
29 VAL TYR 0.455696 0.787234
30 GLY GLU GLU GLU GLY GLU CYS TYR 0.454545 0.754717
31 SER GLN TYR TYR TYR ASN SER LEU 0.451923 0.886792
32 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.451327 0.886792
33 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.45 0.92
34 MET ASN TYR ASP ILE 0.449438 0.816327
35 TRP GLU TYR ILE PRO ASN VAL 0.448529 0.701493
36 ASP PHE GLU GLU ILE 0.447917 0.74
37 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.447761 0.69697
38 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.443478 0.867925
39 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.442478 0.94
40 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.440945 0.716667
41 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.440298 0.69697
42 GLY SER TYR LEU VAL THR SER VAL 0.438095 0.763636
43 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.432 0.839286
44 TYR GLU TRP 0.431373 0.773585
45 ALA THR ALA ALA ALA THR GLU ALA TYR 0.431373 0.877551
46 GLU ASN LEU TYR PHE GLN 0.431193 0.959184
47 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.431034 0.622951
48 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.429752 0.833333
49 ALA ARG THR GLU LEU TYR ARG SER LEU 0.429752 0.709677
50 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.428571 0.762712
51 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.428571 0.775862
52 ASP ARG VAL TYR 0.427083 0.877551
53 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.423729 0.884615
54 ASN ASN LEU GLN ASP GLY THR GLU VAL 0.423529 0.745098
55 LEU THR GLU PTR VAL ALA THR ARG 0.421569 0.77193
56 SER GLN ASN TYR 0.421053 0.807692
57 SEP GLN GLU TYR NH2 0.42 0.666667
58 VAL GLN GLN GLU SER SER PHE VAL MET 0.419643 0.689655
59 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.416667 0.698413
60 GLU THR PHE TYR VAL ASP GLY 0.415929 0.867925
61 ARG ARG GLU VAL HIS THR TYR TYR 0.415385 0.723077
62 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.412698 0.704918
63 SER HIS PHE ASN GLU TYR GLU 0.41129 0.733333
64 ALA MET TYR LYS 0.41 0.701754
65 ARG GLU ASP GLN GLU THR ALA VAL 0.407767 0.76
66 GLY GLY LYS LYS LYS TYR GLN LEU 0.405405 0.763636
67 ACE ALA ARG THR GLU VAL TYR NH2 0.405172 0.758621
68 ACE VAL PHE PHE ALA GLU ASP NH2 0.403846 0.851064
69 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.40367 0.86
70 ACE ASP ALA ASP GLU FTY LEU NH2 0.403509 0.661017
71 ASP ILE ALA TYR TYR THR SER GLU PRO 0.403226 0.661765
72 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.401709 0.811321
73 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.401709 0.785714
74 ASP SEP TYR GLU VAL LEU ASP LEU 0.401575 0.716667
75 GLU THR LEU GLU ASP SER VAL PHE 0.4 0.730769
Similar Ligands (3D)
Ligand no: 1; Ligand: THR ASN GLU TYR TYR 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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