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
1105.19 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 552 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 426 families.
1 3DIW Kd = 0.19 uM ASN GLN LEU ALA TRP PHE ASP THR ASP LEU n/a n/a
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6MS1 Kd = 5970 nM GLY SER TYR LEU VAL THR SER VAL n/a n/a
2 3DIW Kd = 0.19 uM ASN GLN LEU ALA TRP PHE ASP THR ASP LEU n/a n/a
3 2AWX - HIS HIS n/a n/a
4 2AWU - ALA HIS HIS n/a n/a
5 6Q0U - TYR TYR GLU SER GLY TRP LEU n/a n/a
6 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
7 6Q0M - TYR TYR GLU SER ASP TRP LEU n/a n/a
8 6Q0N - THR GLY TYR GLU THR TRP VAL n/a n/a
9 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL n/a n/a
10 5WOU Kd = 664 nM LEU PRO SER PHE GLU THR ALA LEU n/a n/a
11 6MTU Kd = 6083 nM PRO HIS THR ASN GLU THR SEP LEU n/a n/a
12 5VWK - PRO ALA TRP ASP GLU THR ASN LEU n/a n/a
13 5VWI - PRO ALA TRP ASP GLU THR ASN LEU n/a n/a
14 2I0L - ARG ARG ARG GLU THR GLN VAL n/a n/a
15 1N7F - ALA THR VAL ARG THR TYR SER CYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASN GLN LEU ALA TRP PHE ASP THR ASP LEU; Similar ligands found: 130
No: Ligand ECFP6 Tc MDL keys Tc
1 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 1 1
2 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.595745 0.896552
3 PRO ALA TRP ASP GLU THR ASN LEU 0.587838 0.852459
4 ACE ASN TRP GLU THR PHE 0.585185 0.927273
5 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.583333 0.852459
6 GLU LEU ASP HOX TRP ALA SER 0.577465 0.87931
7 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.575342 0.910714
8 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.568627 0.787879
9 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.557823 0.79661
10 ALA ALA TRP LEU PHE GLU ALA 0.553957 0.886792
11 ALA LEU ASP LYS TRP ALA SER 0.542857 0.847458
12 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.540323 0.830189
13 GLU LEU ASP LYS TRP ALA ASN 0.537931 0.830508
14 GLU LEU ASP ORN TRP ALA SER 0.534722 0.862069
15 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.533333 0.864407
16 GLU LEU ASP LYS TRP ALA SER 0.520548 0.847458
17 ASP GLU ASP LYS TRP ASP ASP PHE 0.514493 0.775862
18 ALA LEU ASP LYS TRP ASP 0.510949 0.827586
19 ALA TRP LEU PHE GLU ALA 0.510791 0.886792
20 GLU LEU ASP HIS TRP ALA SER 0.510067 0.847458
21 SER LEU LEU MET TRP ILE THR GLN LEU 0.509934 0.83871
22 SER LEU PHE ASN THR VAL ALA THR LEU 0.507143 0.736842
23 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.506579 0.87931
24 GLU LEU ASP NRG TRP ALA SER 0.50641 0.675676
25 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.503759 0.836364
26 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.5 0.821429
27 GLU GLN ASP LYS TRP ALA SER 0.496644 0.783333
28 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.496504 0.754098
29 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.493243 0.821429
30 GLU ASN ASP LYS TRP ALA SER 0.489933 0.8
31 GLU ALA ASP LYS TRP GLN SER 0.489933 0.783333
32 PRO ALA TRP LEU PHE GLU ALA 0.487013 0.783333
33 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.486486 0.779661
34 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.482353 0.714286
35 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.481481 0.767857
36 SER LEU LEU MET TRP ILE THR GLN CYS 0.477707 0.83871
37 SER LEU LEU MET TRP ILE THR GLN SER 0.477419 0.83871
38 ASP ASN TRP GLN ASN GLY THR SER 0.476821 0.830508
39 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.474453 0.814815
40 SER LEU LEU MET TRP ILE THR GLN ALA 0.474359 0.83871
41 ALA SER ASN GLU ASN TRP GLU THR MET 0.473333 0.822581
42 ASP PHE GLN GLU SER ALA ASP SER PHE LEU 0.472222 0.807018
43 GLY LEU MET TRP LEU SER TYR PHE VAL 0.471338 0.8125
44 ILE ASP TRP PHE ASP GLY LYS ASP 0.470968 0.8
45 GLU LEU ASP LYS TRP ALA GLY 0.469799 0.79661
46 ALA PRO ALA TRP LEU PHE GLU ALA 0.469136 0.712121
47 SER ARG TYR TRP ALA ILE ARG THR ARG 0.466667 0.75
48 ILE ASP TRP PHE ASP GLY LYS GLU 0.465409 0.8
49 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.4625 0.819672
50 GLU LEU GLU LYS TRP ALA SER 0.46 0.8
51 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.458333 0.779412
52 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.458065 0.790323
53 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.456954 0.796875
54 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.45679 0.866667
55 ILE ASP TRP PHE GLU GLY LYS GLU 0.45625 0.770492
56 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.45509 0.753846
57 MET ASN TRP ASN ILE 0.454545 0.854545
58 SER LEU TYR ASN THR ILE ALA THR LEU 0.452055 0.733333
59 FME ASP VAL GLU ALA TRP LEU 0.449367 0.779661
60 SER SER VAL VAL GLY VAL TRP TYR LEU 0.448718 0.881356
61 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.448718 0.772727
62 FME TYR PHE ILE ASN ILE LEU THR LEU 0.448052 0.758065
63 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.446541 0.630769
64 SER LEU TYR ASN THR VAL ALA THR LEU 0.445205 0.728814
65 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.445161 0.7
66 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.442424 0.852459
67 SER LEU TYR ASN VAL VAL ALA THR LEU 0.442177 0.728814
68 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.441558 0.745763
69 SER SER VAL ILE GLY VAL TRP TYR LEU 0.440994 0.866667
70 ALA LEU ASP LYS TRP GLN ASN 0.440559 0.810345
71 GLN GLU GLU TRP SEP THR VAL MET 0.440252 0.764706
72 VAL ASP SER LYS ASN THR SER SER TRP 0.43949 0.85
73 ACE PRO TRP ALA THR CYS ASP SER NH2 0.438272 0.714286
74 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.43787 0.712121
75 THR SER THR THR SER VAL ALA SER SER TRP 0.4375 0.875
76 PRO GLN PHE SER LEU TRP LYS ARG 0.436709 0.819672
77 ASN ASP TRP LEU LEU PRO SER TYR 0.436047 0.757143
78 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.435583 0.765625
79 SER PRO LEU ASP SER LEU TRP TRP ILE 0.435583 0.764706
80 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.435374 0.758621
81 MET ASP TRP ASN MET HIS ALA ALA 0.433962 0.774194
82 ILE ASN PHE ASP PHE ASN THR ILE 0.433824 0.818182
83 ALA VAL TYR ASN PHE ALA THR MET 0.433333 0.754098
84 GLU ASP ASN ASP TRP ASN 0.433071 0.814815
85 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.432927 0.777778
86 GLY ASN TYR SER PHE TYR ALA LEU 0.429577 0.737705
87 LYS VAL ILE THR PHE ILE ASP LEU 0.42953 0.745763
88 SER ALA ASN SER PHE THR LEU ILE GLY GLU 0.429487 0.745763
89 SER LEU LEU MET TRP ILE THR GLN VAL 0.429448 0.822581
90 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.428571 0.772727
91 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.428571 0.671233
92 LEU LEU TRP ASN GLY PRO ILE ALA VAL 0.428571 0.705882
93 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.426966 0.671233
94 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.426901 0.712121
95 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.425676 0.789474
96 ARG PHE PRO LEU THR PHE GLY TRP 0.424581 0.722222
97 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.424419 0.787879
98 ILE SER PRO ARG THR LEU ASP ALA TRP 0.423913 0.702703
99 ARG LEU TRP SER 0.423611 0.734375
100 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.423611 0.890909
101 SER GLY ILE PHE LEU GLU THR SER 0.422535 0.77193
102 GLU ASN LEU TYR PHE GLN 0.41958 0.789474
103 SER LEU PHE ASN THR ILE ALA VAL LEU 0.419355 0.724138
104 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.418605 0.702703
105 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.418182 0.819672
106 LEU LEU TRP ASN GLY PRO MET ALA VAL 0.417143 0.676056
107 ARG TYR PRO LEU THR PHE GLY TRP 0.416216 0.702703
108 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.410596 0.779661
109 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.410526 0.726027
110 TRP GLU GLU LEU 0.410448 0.851852
111 BAL LEU ALA TIG 3AZ LEU THR VAL 0.410405 0.868852
112 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.408805 0.79661
113 ASP PHE ALA ASN THR PHE LEU PRO 0.407643 0.784615
114 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.407407 0.811321
115 ASP ALA ASP GLU TYR LEU 0.407143 0.781818
116 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.405405 0.684932
117 ASP TRP ASN 0.40458 0.814815
118 GLU LEU ALA TIG 3AZ LEU THR VAL 0.404494 0.866667
119 TYR TRP ALA ALA ALA ALA 0.404255 0.8
120 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.404145 0.657534
121 VAL ASN ASP ILE PHE GLU ALA ILE 0.403974 0.763636
122 LEU PRO SER PHE GLU THR ALA LEU 0.403727 0.727273
123 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.403727 0.671642
124 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.403315 0.652778
125 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.402516 0.725806
126 ARG GLU ASP GLN GLU THR ALA VAL 0.40146 0.740741
127 ACE TRP HIS THR ALA NH2 NH2 0.4 0.807018
128 LYS MET ASN THR GLN PHE THR ALA VAL 0.4 0.6875
129 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.4 0.781818
130 SER LEU TYR LEU THR VAL ALA THR LEU 0.4 0.724138
Similar Ligands (3D)
Ligand no: 1; Ligand: ASN GLN LEU ALA TRP PHE ASP THR ASP LEU; 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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