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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 510 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 391 families.
1 3DIW Kd = 0.19 uM ASN GLN LEU ALA TRP PHE ASP THR ASP LEU n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3DIW Kd = 0.19 uM ASN GLN LEU ALA TRP PHE ASP THR ASP LEU n/a n/a
2 2AWX - HIS HIS n/a n/a
3 2AWU - ALA HIS HIS n/a n/a
4 5VWK - PRO ALA TRP ASP GLU THR ASN LEU n/a n/a
5 5WOU Kd = 664 nM LEU PRO SER PHE GLU THR ALA LEU n/a n/a
6 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
7 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL n/a n/a
8 5VWI - PRO ALA TRP ASP GLU THR ASN LEU n/a n/a
9 2I0L - ARG ARG ARG GLU THR GLN VAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASN GLN LEU ALA TRP PHE ASP THR ASP LEU; Similar ligands found: 164
No: Ligand ECFP6 Tc MDL keys Tc
1 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 1 1
2 SER TRP PHE GLN THR ASP LEU 0.75 0.946429
3 GLU LEU ASP HOX TRP ALA SER 0.664234 0.87931
4 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.651316 0.852459
5 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.624114 0.896552
6 GLU LEU ASP LYS TRP ALA ASN 0.621429 0.830508
7 GLU LEU ASP ORN TRP ALA SER 0.618705 0.862069
8 GLU LEU ASP LYS TRP ALA SER 0.602837 0.847458
9 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.60274 0.910714
10 GLU LEU ASP HIS TRP ALA SER 0.590278 0.847458
11 GLU LEU ASP NRG TRP ALA SER 0.582781 0.675676
12 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.574194 0.787879
13 PRO ALA TRP ASP GLU THR ASN LEU 0.572368 0.852459
14 ACE ASN TRP GLU THR PHE 0.568345 0.927273
15 GLU GLN ASP LYS TRP ALA SER 0.565517 0.783333
16 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.5625 0.821429
17 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.56 0.864407
18 GLU ASN ASP LYS TRP ALA SER 0.558621 0.8
19 ALA LEU ASP LYS TRP ALA SER 0.549296 0.847458
20 GLU LEU ASP LYS TRP ALA GLY 0.548611 0.79661
21 GLU ALA ASP LYS TRP GLN SER 0.547945 0.783333
22 SER LEU PHE ASN THR VAL ALA THR LEU 0.546763 0.736842
23 SER LEU LEU MET TRP ILE THR GLN LEU 0.546667 0.83871
24 GLU LEU GLU LYS TRP ALA SER 0.537931 0.8
25 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.535484 0.819672
26 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.532895 0.87931
27 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.530201 0.7
28 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.527607 0.779412
29 ALA LEU ASP LYS TRP ASP 0.517986 0.827586
30 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.517647 0.761194
31 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.515625 0.830189
32 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.514793 0.714286
33 SER LEU LEU MET TRP ILE THR GLN SER 0.512987 0.83871
34 SER LEU LEU MET TRP ILE THR GLN CYS 0.512821 0.83871
35 ASP GLU ASP LYS TRP ASP ASP PHE 0.510638 0.775862
36 SER LEU LEU MET TRP ILE THR GLN ALA 0.509677 0.83871
37 ILE ASP TRP PHE ASP GLY LYS ASP 0.506494 0.8
38 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.503356 0.796875
39 LYS ALA LEU TYR ASN PHE ALA THR MET 0.503226 0.723077
40 ILE ASP TRP PHE ASP GLY LYS GLU 0.5 0.8
41 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.5 0.630769
42 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.493827 0.87931
43 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.493151 0.754098
44 SER ARG TYR TRP ALA ILE ARG THR ARG 0.490909 0.75
45 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.490683 0.866667
46 ILE ASP TRP PHE GLU GLY LYS GLU 0.490566 0.770492
47 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.489933 0.810345
48 SER LEU TYR ASN THR ILE ALA THR LEU 0.489655 0.733333
49 GLU ASN LEU TYR PHE GLN 0.489209 0.789474
50 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.489051 0.767857
51 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.487952 0.753846
52 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.4875 0.819672
53 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.4875 0.765625
54 SER LEU TYR ASN THR VAL ALA THR LEU 0.482759 0.728814
55 ARG LEU TRP SER 0.482269 0.734375
56 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.481752 0.836364
57 ALA SER ASN GLU ASN TRP GLU THR MET 0.480263 0.822581
58 SER LEU TYR ASN VAL VAL ALA THR LEU 0.479452 0.728814
59 GLY LEU MET TRP LEU SER TYR PHE VAL 0.477987 0.8125
60 MET ASP TRP ASN MET HIS ALA ALA 0.477707 0.774194
61 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.477124 0.745763
62 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.476821 0.779661
63 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.47561 0.852459
64 SER SER VAL VAL GLY VAL TRP TYR LEU 0.474359 0.881356
65 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.474359 0.790323
66 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.472603 0.758621
67 GLU LEU ALA TIG 3AZ LEU THR VAL 0.468208 0.866667
68 LYS VAL ILE THR PHE ILE ASP LEU 0.466216 0.745763
69 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.465909 0.671233
70 SER SER VAL ILE GLY VAL TRP TYR LEU 0.465839 0.866667
71 SER LEU PHE ASN THR ILE ALA VAL LEU 0.464052 0.724138
72 ARG PHE PRO LEU THR PHE GLY TRP 0.463277 0.722222
73 SER LEU LEU MET TRP ILE THR GLN VAL 0.462963 0.822581
74 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.461538 0.712121
75 ASN ASP TRP LEU LEU PRO SER TYR 0.459302 0.757143
76 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.458564 0.671233
77 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.457317 0.777778
78 MET ASN TRP ASN ILE 0.455882 0.854545
79 GLU LEU ASP LYS TYR ALA SER 0.455782 0.721311
80 ARG TYR PRO LEU THR PHE GLY TRP 0.453552 0.702703
81 ILE ASN PHE ASP PHE ASN THR ILE 0.452555 0.818182
82 SER PRO LEU ASP SER LEU TRP TRP ILE 0.451219 0.764706
83 GLU ILE ILE ASN PHE GLU LYS LEU 0.450331 0.655738
84 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.450292 0.712121
85 ALA LEU ASP LYS TRP GLN ASN 0.448276 0.810345
86 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.448276 0.676056
87 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.447761 0.811321
88 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.447674 0.787879
89 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.446809 0.726027
90 VAL ASP SER LYS ASN THR SER SER TRP 0.446541 0.85
91 FME TYR PHE ILE ASN ILE LEU THR LEU 0.44586 0.758065
92 THR SER THR THR SER VAL ALA SER SER TRP 0.445205 0.875
93 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.445161 0.758621
94 ACE GLN LEU ASP ALA PHE 0.444444 0.722222
95 GLN GLU GLU TRP SEP THR VAL MET 0.444444 0.764706
96 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.443787 0.772727
97 LYS MET ASN THR GLN PHE THR ALA VAL 0.443038 0.6875
98 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.441558 0.723077
99 ACE GLN ALA ASP LEU PHE 0.441176 0.722222
100 ALA VAL TYR ASN PHE ALA THR MET 0.440789 0.754098
101 GLU LEU ALA GIC 3AZ LEU THR VAL 0.440678 0.8125
102 TRP GLU GLU LEU 0.440298 0.851852
103 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.439791 0.657534
104 LYS ALA VAL PHE ASN PHE ALA THR MET 0.43871 0.730159
105 MET LEU ILE TYR SER MET TRP GLY LYS 0.438202 0.764706
106 ILE SER PRO ARG THR LEU ASP ALA TRP 0.437838 0.702703
107 GLY ASN TYR SER PHE TYR ALA LEU 0.4375 0.737705
108 SER LEU TYR LEU THR VAL ALA THR LEU 0.4375 0.724138
109 ACE PRO TRP ALA THR CYS ASP SER NH2 0.436364 0.714286
110 ASP ALA ASP GLU TYR LEU 0.435714 0.781818
111 GLU THR PHE TYR VAL ASP GLY 0.435374 0.779661
112 ASP TRP ASN 0.435115 0.814815
113 GLU ASP ASN ASP TRP ASN 0.435115 0.814815
114 LYS ALA VAL TYR ASN PHE ALA THR MET 0.434783 0.723077
115 ARG ABA GLN ILE PHE ALA ASN ILE 0.434211 0.661017
116 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.433962 0.79661
117 PHE LEU ALA TYR LYS 0.433566 0.7
118 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.433333 0.652778
119 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.433333 0.789474
120 MET PHE SER ILE ASP ASN ILE LEU ALA 0.433121 0.709677
121 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.43299 0.706667
122 TYR TRP ALA ALA ALA ALA 0.432624 0.8
123 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.428571 0.6875
124 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.428571 0.671642
125 GLU LEU ASP 1OL VAL GLU PHE 0.428571 0.745455
126 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.428571 0.712121
127 LYS ALA VAL TYR ASN LEU ALA THR MET 0.428571 0.692308
128 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.426136 0.705882
129 PRO GLN PHE SER LEU TRP LYS ARG 0.425926 0.819672
130 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.425676 0.890909
131 GLU THR LEU LEU ASP LEU ASP PHE ASP PRO 0.423841 0.765625
132 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.423469 0.693333
133 ASP TRP GLU ILE VAL 0.421769 0.87037
134 VAL ASN ASP ILE PHE GLU ALA ILE 0.421053 0.763636
135 LEU PRO SER PHE GLU THR ALA LEU 0.419753 0.727273
136 SER ILE ILE ASN PHE GLU LYS LEU 0.419355 0.704918
137 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.41875 0.725806
138 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.418182 0.701493
139 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.418182 0.666667
140 BAL LEU ALA TIG 3AZ LEU THR VAL 0.417143 0.868852
141 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.417143 0.662162
142 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.41573 0.702703
143 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.414894 0.695652
144 SER LEU ALA ASN THR VAL ALA THR LEU 0.414286 0.684211
145 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.411043 0.758065
146 PHE PRO THR LYS ASP VAL ALA LEU 0.410714 0.727273
147 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.410596 0.727273
148 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.410112 0.728571
149 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.409836 0.8125
150 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.409091 0.779661
151 THR LEU PRO TRP ASP LEU TRP THR THR 0.407186 0.815385
152 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.406061 0.731343
153 ASP SER TRP LYS ASP GLY CYS TYR 0.405882 0.777778
154 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.405405 0.666667
155 LYS TRP LYS 0.404412 0.694915
156 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.404372 0.714286
157 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.403846 0.733333
158 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.402516 0.725806
159 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.402516 0.721311
160 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.402116 0.657534
161 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.401316 0.683333
162 ARG GLU ASP GLN GLU THR ALA VAL 0.4 0.740741
163 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.4 0.666667
164 SER TRP PHE PRO 0.4 0.686567
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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