Receptor
PDB id Resolution Class Description Source Keywords
3DIW 2.1 Å NON-ENZYME: BINDING C-TERMINAL BETA-CATENIN BOUND TIP-1 STRUCTURE MUS MUSCULUS BETA-CATENIN TIP-1 TAX-INTERACTING PROTEIN-1 PDZ DOMAIN WNT SIGNALING PATHWAY SIGNALING PROTEIN-CELL ADHESION COMP
Ref.: STRUCTURAL BASIS OF BETA-CATENIN RECOGNITION BY TAX-INTERACTING PROTEIN-1 J.MOL.BIOL. V. 384 255 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASN GLN LEU ALA TRP PHE ASP THR ASP LEU C:773;
D:773;
Valid;
Valid;
none;
none;
Kd = 0.19 uM
1106.2 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DIW 2.1 Å NON-ENZYME: BINDING C-TERMINAL BETA-CATENIN BOUND TIP-1 STRUCTURE MUS MUSCULUS BETA-CATENIN TIP-1 TAX-INTERACTING PROTEIN-1 PDZ DOMAIN WNT SIGNALING PATHWAY SIGNALING PROTEIN-CELL ADHESION COMP
Ref.: STRUCTURAL BASIS OF BETA-CATENIN RECOGNITION BY TAX-INTERACTING PROTEIN-1 J.MOL.BIOL. V. 384 255 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3DIW Kd = 0.19 uM ASN GLN LEU ALA TRP PHE ASP THR ASP LEU n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3DIW Kd = 0.19 uM ASN GLN LEU ALA TRP PHE ASP THR ASP LEU n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3DIW Kd = 0.19 uM ASN GLN LEU ALA TRP PHE ASP THR ASP LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASN GLN LEU ALA TRP PHE ASP THR ASP LEU; Similar ligands found: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 1 1
2 GLU LEU ASP HOX TRP ALA SER 0.651852 0.87931
3 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.650685 0.85
4 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.639706 0.87931
5 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.628571 0.8125
6 GLU LEU ASP LYS TRP ALA ASN 0.626866 0.844828
7 GLU LEU ASP LYS TRP ALA SER 0.607407 0.830508
8 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.6 0.910714
9 GLU LEU ASP ORN TRP ALA SER 0.59854 0.844828
10 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.58042 0.847458
11 GLU LEU ASP HIS TRP ALA SER 0.577465 0.830508
12 GLU LEU ASP NRG TRP ALA SER 0.57047 0.675676
13 GLU GLN ASP LYS TRP ALA SER 0.568345 0.783333
14 SER LEU PHE ASN THR VAL ALA THR LEU 0.567164 0.736842
15 ALA LEU ASP LYS TRP ALA SER 0.562963 0.830508
16 GLU ASN ASP LYS TRP ALA SER 0.561151 0.8
17 GLU ALA ASP LYS TRP GLN SER 0.557143 0.783333
18 SER LEU LEU MET TRP ILE THR GLN LEU 0.554795 0.83871
19 ALA ALA TRP LEU PHE GLU ALA 0.553957 0.867925
20 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.552448 0.711864
21 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.549296 0.821429
22 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.547297 0.819672
23 GLU LEU ASP LYS TRP ALA GLY 0.546763 0.779661
24 LYS ALA LEU TYR ASN PHE ALA THR MET 0.544218 0.734375
25 ASP GLU ASP LYS TRP ASP ASP PHE 0.541353 0.77193
26 SER LEU PHE ASN THR ILE ALA VAL LEU 0.535714 0.741379
27 GLU LEU GLU LYS TRP ALA SER 0.532374 0.783333
28 ALA LEU ASP LYS TRP ASP 0.530303 0.824561
29 ACE ASN TRP GLU THR PHE 0.527778 0.927273
30 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.527607 0.714286
31 SER LEU LEU MET TRP ILE THR GLN SER 0.526667 0.83871
32 SER LEU LEU MET TRP ILE THR GLN CYS 0.526316 0.83871
33 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.52381 0.811321
34 SER LEU LEU MET TRP ILE THR GLN ALA 0.523179 0.83871
35 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.51497 0.761194
36 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.513158 0.862069
37 ALA TRP LEU PHE GLU ALA 0.510791 0.867925
38 SER LEU LEU MET TRP ILE THR GLN VAL 0.509804 0.83871
39 SER ARG TYR TRP ALA ILE ARG THR ARG 0.509434 0.75
40 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.507463 0.767857
41 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.506944 0.796875
42 ASP ASN TRP GLN ASN GLY THR SER 0.506757 0.830508
43 LYS VAL ILE THR PHE ILE ASP LEU 0.503546 0.741379
44 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.5 0.87931
45 SER LEU TYR ASN THR VAL ALA THR LEU 0.5 0.728814
46 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.496774 0.615385
47 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.496732 0.819672
48 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.496644 0.745763
49 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.496552 0.741379
50 SER LEU TYR ASN THR ILE ALA THR LEU 0.496454 0.733333
51 SER LEU TYR ASN VAL VAL ALA THR LEU 0.496454 0.728814
52 PRO ALA TRP LEU PHE GLU ALA 0.493506 0.779661
53 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.493421 0.786885
54 ILE ASP TRP PHE ASP GLY LYS ASP 0.490066 0.783333
55 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.488722 0.818182
56 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.487013 0.691176
57 SER SER VAL VAL GLY VAL TRP TYR LEU 0.486842 0.864407
58 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.486301 0.766667
59 ARG LEU TRP SER 0.485294 0.734375
60 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.484076 0.765625
61 GLY LEU MET TRP LEU SER TYR PHE VAL 0.484076 0.796875
62 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.484076 0.784615
63 ILE ASP TRP PHE ASP GLY LYS GLU 0.483871 0.783333
64 ALA SER ASN GLU ASN TRP GLU THR MET 0.483221 0.822581
65 MET ASP TRP ASN MET HIS ALA ALA 0.480263 0.774194
66 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.479532 0.671233
67 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.478788 0.753846
68 GLU LEU ASP LYS TYR ALA SER 0.475177 0.704918
69 SER SER VAL ILE GLY VAL TRP TYR LEU 0.474684 0.85
70 ALA LEU ASP LYS TRP GLN ASN 0.474453 0.807018
71 GLU ASN LEU TYR PHE GLN 0.474453 0.789474
72 ILE ASP TRP PHE GLU GLY LYS GLU 0.474359 0.754098
73 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.473988 0.671233
74 VAL ASP SER LYS ASN THR SER SER TRP 0.473333 0.85
75 LYS ALA VAL PHE ASN PHE ALA THR MET 0.472973 0.741935
76 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.472222 0.741379
77 LYS ALA VAL TYR ASN PHE ALA THR MET 0.470588 0.734375
78 LYS ALA VAL TYR ASN LEU ALA THR MET 0.470588 0.703125
79 PHE LEU ALA TYR LYS 0.470588 0.694915
80 LYS MET ASN THR GLN PHE THR ALA VAL 0.470199 0.698413
81 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.469799 0.762712
82 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.469231 0.735849
83 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.467626 0.814815
84 ALA PRO ALA TRP LEU PHE GLU ALA 0.466258 0.69697
85 GLU ILE ILE ASN PHE GLU LYS LEU 0.465753 0.666667
86 ASN ASP TRP LEU LEU PRO SER TYR 0.464286 0.757143
87 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.462963 0.866667
88 SER PRO LEU ASP SER LEU TRP TRP ILE 0.4625 0.75
89 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.461039 0.79661
90 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.461039 0.671642
91 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.460526 0.807018
92 ARG PHE PRO LEU THR PHE GLY TRP 0.45977 0.722222
93 MET ASN TRP ASN ILE 0.458647 0.854545
94 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.458333 0.787879
95 SER ILE ILE ASN PHE GLU LYS LEU 0.455782 0.704918
96 SER LEU TYR LEU THR VAL ALA THR LEU 0.453237 0.706897
97 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.45283 0.784615
98 ARG TYR PRO LEU THR PHE GLY TRP 0.452514 0.702703
99 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.451429 0.684932
100 ASP ALA ASP GLU TYR LEU 0.448529 0.763636
101 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.448485 0.852459
102 ACE PRO TRP ALA THR CYS ASP SER NH2 0.447205 0.7
103 ALA VAL TYR ASN PHE ALA THR MET 0.446667 0.754098
104 FME ASP VAL GLU ALA TRP LEU 0.446541 0.779661
105 ILE ASN PHE ASP PHE ASN THR ILE 0.445255 0.818182
106 FME TYR PHE ILE ASN ILE LEU THR LEU 0.445161 0.758065
107 ILE SER PRO ARG THR LEU ASP ALA TRP 0.445055 0.702703
108 THR SER THR THR SER VAL ALA SER SER TRP 0.444444 0.857143
109 MET PHE SER ILE ASP ASN ILE LEU ALA 0.444444 0.709677
110 GLY ASN TYR SER PHE TYR ALA LEU 0.443662 0.737705
111 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.443243 0.726027
112 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.442953 0.723077
113 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.442529 0.652778
114 MET LEU ILE TYR SER MET TRP GLY LYS 0.44186 0.75
115 ASP TRP ASN 0.440945 0.814815
116 GLU ASP ASN ASP TRP ASN 0.440945 0.814815
117 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.440789 0.712121
118 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.440476 0.69697
119 PHE PRO THR LYS ASP VAL ALA LEU 0.440252 0.723077
120 PRO GLN PHE SER LEU TRP LYS ARG 0.440252 0.819672
121 ACE GLN LEU ASP ALA PHE 0.437956 0.722222
122 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.4375 0.727273
123 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.43617 0.657534
124 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.435897 0.721311
125 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.435583 0.777778
126 GLU LEU ALA TIG 3AZ LEU THR VAL 0.434286 0.85
127 ARG ABA GLN ILE PHE ALA ASN ILE 0.433333 0.661017
128 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.433333 0.691176
129 LYS VAL LEU PHE LEU ASP GLY 0.432624 0.644068
130 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.432432 0.785714
131 TRP GLU GLU LEU 0.431818 0.833333
132 CYS THR PHE LYS THR LYS THR ASN 0.431655 0.688525
133 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.431373 0.725806
134 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.430556 0.890909
135 SER LEU ALA ASN THR VAL ALA THR LEU 0.42963 0.684211
136 VAL ASN ASP ILE PHE GLU ALA ILE 0.42953 0.763636
137 GLU THR LEU LEU ASP LEU ASP PHE ASP PRO 0.42953 0.75
138 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.429412 0.69697
139 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.429412 0.705882
140 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.429319 0.706667
141 ACE GLN ALA ASP LEU PHE 0.427536 0.722222
142 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.427083 0.693333
143 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.426752 0.6875
144 GLN GLU GLU TRP SEP THR VAL MET 0.425 0.75
145 ASP TRP GLU ILE VAL 0.423611 0.851852
146 THR PHE LYS LYS THR ASN 0.423358 0.711864
147 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.42236 0.708333
148 LYS TRP LYS 0.421875 0.689655
149 GLU THR PHE TYR VAL ASP GLY 0.421769 0.762712
150 TYR TRP ALA ALA ALA ALA 0.421429 0.781818
151 GLU LEU ASP 1OL VAL GLU PHE 0.421053 0.727273
152 SER TRP PHE PRO 0.42069 0.671642
153 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.419753 0.666667
154 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.417219 0.779661
155 THR LEU PRO TRP ASP LEU TRP THR THR 0.417178 0.8
156 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.413043 0.732143
157 SER GLU ILE GLU PHE ALA ARG LEU 0.412903 0.646154
158 LEU PRO PHE ASP LYS THR THR ILE MET 0.411765 0.671429
159 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.410112 0.666667
160 ACE GLN ALC ASP LEU ZCL 0.409396 0.7
161 BAL LEU ALA TIG 3AZ LEU THR VAL 0.409091 0.852459
162 GLU LEU ALA GIC 3AZ LEU THR VAL 0.40884 0.796875
163 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.408284 0.735294
164 THR LYS ASN TYR LYS GLN THR SER VAL 0.407895 0.698413
165 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.407407 0.758065
166 THR ASN GLU PHE ALA PHE 0.407407 0.703704
167 ACE TRP HIS THR ALA NH2 NH2 0.406897 0.789474
168 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.40678 0.728571
169 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.405882 0.701493
170 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.405556 0.8125
171 SER SER ILE GLU PHE ALA ARG LEU 0.405063 0.661538
172 SER GLN TYR TYR TYR ASN SER LEU 0.404255 0.79661
173 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.402174 0.657534
174 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.401274 0.666667
175 CYS THR GLU LEU LYS LEU SER ASP TYR 0.401274 0.709677
176 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.4 0.641791
177 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.4 0.714286
178 PHE TYR ARG ALA LEU MET 0.4 0.608696
Similar Binding Sites (Proteins are less than 50% similar to leader)
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