Receptor
PDB id Resolution Class Description Source Keywords
3C2G 2.5 Å NON-ENZYME: OTHER CRYSTAL COMPLEX OF SYS-1/POP-1 AT 2.5A RESOLUTION CAENORHABDITIS ELEGANS BETA-CATENIN PHYLOGENY SYS-1 POP-1 CAENORHABDITIS ELEGANDEVELOPMENTAL PROTEIN DNA-BINDING NUCLEUS CELL ADHESION-TRANSCRIPTION COMPLEX
Ref.: THE C. ELEGANS SYS-1 PROTEIN IS A BONA FIDE BETA-CA DEV.CELL V. 14 751 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY ASP GLU VAL LYS VAL PHE ARG C:7;
D:7;
 Valid;
Valid;
 none;
none;
 submit data
934.086 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3C2G 2.5 Å NON-ENZYME: OTHER CRYSTAL COMPLEX OF SYS-1/POP-1 AT 2.5A RESOLUTION CAENORHABDITIS ELEGANS BETA-CATENIN PHYLOGENY SYS-1 POP-1 CAENORHABDITIS ELEGANDEVELOPMENTAL PROTEIN DNA-BINDING NUCLEUS CELL ADHESION-TRANSCRIPTION COMPLEX
Ref.: THE C. ELEGANS SYS-1 PROTEIN IS A BONA FIDE BETA-CA DEV.CELL V. 14 751 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3C2G - GLY ASP GLU VAL LYS VAL PHE ARG 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 1331 families.
1 3C2G - GLY ASP GLU VAL LYS VAL PHE ARG 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 1144 families.
1 3C2G - GLY ASP GLU VAL LYS VAL PHE ARG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY ASP GLU VAL LYS VAL PHE ARG; Similar ligands found: 113
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ASP GLU VAL LYS VAL PHE ARG 1 1
2 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.57554 0.813559
3 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.546763 0.827586
4 GLU THR VAL ARG PHE GLN SER ASP 0.517986 0.857143
5 PHE GLU ASP LEU ARG VAL LEU SER PHE 0.51773 0.813559
6 PHE GLU ASP LEU ARG VAL SER SER PHE 0.51773 0.813559
7 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.514085 0.833333
8 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.492647 0.924528
9 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.489362 0.859649
10 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.489051 0.87037
11 ASP ALA GLU PHE ARG HIS ASP 0.48855 0.921569
12 ALA GLU THR PHE TYR VAL ASP GLY 0.480916 0.622951
13 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.48 0.761905
14 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.471831 0.786885
15 GLY ASN PHE LEU GLN SER ARG 0.471014 0.844828
16 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.470199 0.944444
17 ASP ALA GLU PHE ARG HIS ASP SER 0.468531 0.79661
18 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.465649 0.941176
19 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.462585 0.746032
20 SER SER ARG LYS GLU TYR TYR ALA 0.462121 0.827586
21 THR PHE GLN ALA PSA LEU ARG GLU 0.461039 0.847458
22 PHE GLU ASP LEU ARG LEU LEU SER PHE 0.457143 0.813559
23 ALA LYS PHE ARG HIS ASP 0.453237 0.813559
24 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.453237 0.711864
25 LYS PHE LYS 0.451327 0.705882
26 ALA ARG THR LYS GLN THR ALA ARG LYS 0.451128 0.803571
27 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.449664 0.714286
28 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.449664 0.833333
29 PHQ LEU VAL ARG TYR 0.449275 0.730159
30 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.449275 0.694915
31 GLY ASP CYS PHE SER LYS PRO ARG 0.448718 0.716418
32 ARG ILE PHE SER 0.445312 0.785714
33 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.442308 0.786885
34 GLY SER LYS MET GLU GLU VAL ASP 0.44186 0.688525
35 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.439189 0.754386
36 THR ASN GLU TYR LYS VAL 0.438462 0.741379
37 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA 0.4375 0.810345
38 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.4375 0.757576
39 GLU ILE ILE ASN PHE GLU LYS LEU 0.43662 0.8
40 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.436242 0.830508
41 GLU GLN TYR LYS PHE TYR SER VAL 0.435714 0.721311
42 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.435583 0.724638
43 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.434483 0.677419
44 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.434211 0.671642
45 GLN ILE LYS VAL ARG VAL ASP MET VAL 0.433566 0.824561
46 SER ILE ILE ASN PHE GLU LYS LEU 0.433566 0.728814
47 ALA TYR ARG 0.433333 0.767857
48 LYS VAL LEU PHE LEU ASP GLY 0.432836 0.846154
49 ASP PHE M3L THR ASP 0.431818 0.626866
50 ACE ALA ARG THR GLU VAL TYR NH2 0.431655 0.827586
51 SER GLU ILE GLU PHE ALA ARG LEU 0.431507 0.842105
52 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.431373 0.813559
53 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.43125 0.75
54 VAL ALA PHE ARG SER 0.430769 0.833333
55 ARG VAL LEU PHE GLU ALA MET 0.428571 0.875
56 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.426357 0.724138
57 PAC DLY DLY DAR 0.42623 0.921569
58 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.425806 0.734375
59 THR LYS ASN TYR LYS GLN PHE SER VAL 0.425532 0.68254
60 ALA ARG THR LYS GLN THR ALA ARG 0.425197 0.818182
61 GLU GLU GLU ASP GLY TPO MET LYS ARG ASN 0.424658 0.712121
62 HY1 CIR VAL ARG 00S 0.424242 0.821429
63 THR PHE ALY SER ILE MET LYS 0.423841 0.640625
64 SER SER ILE GLU PHE ALA ARG LEU 0.422819 0.827586
65 GLU ALY ARG 0.422764 0.830189
66 ACE VAL PHE PHE ALA GLU ASP NH2 0.421875 0.716981
67 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.421769 0.694915
68 ACE ASP GLU VAL ASP ASP GLU VAL ASP 0.421053 0.62963
69 SER ILE ILE GLY PHE GLU LYS LEU 0.42069 0.77193
70 ARG ABA VAL ILE PHE ALA ASN ILE 0.42069 0.872727
71 GLY ASP GLU GLU THR GLY GLU 0.420635 0.678571
72 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.420168 0.769231
73 GLN VAL ASN PHE LEU GLY LYS 0.41958 0.833333
74 ASP ARG VAL TYR ILE HIS PRO PHE 0.418301 0.753846
75 SER LEU ARG PHE LEU TYR GLU GLY 0.417808 0.790323
76 SER GLU LEU GLU ILE LYS ARG TYR 0.416107 0.819672
77 ALA ARG LYS ILE ASP ASN LEU ASP 0.415493 0.824561
78 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.415493 0.785714
79 GLU ASN GLN LYS GLU TYR PHE PHE 0.414815 0.683333
80 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.414634 0.746269
81 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.41358 0.757576
82 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.413223 0.781818
83 ACE MET GLU GLU VAL PHE 0.412698 0.666667
84 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.412587 0.688525
85 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.4125 0.786885
86 GLU LEU LYS TPO GLU ARG TYR 0.411765 0.757576
87 ALA THR ARG ASN PHE SER GLY 0.411348 0.810345
88 ASP PHE GLU GLU ILE 0.41129 0.716981
89 CYS THR PHE LYS THR LYS THR ASN 0.410448 0.741379
90 ARG ARG GLU VAL HIS THR TYR TYR 0.410256 0.731343
91 ACE ALA ARG THR LYS GLN 0.409449 0.8
92 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.409091 0.813559
93 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.409091 0.854545
94 GLY ARG GLY ASP SER PRO 0.408 0.796296
95 GLY GLY LYS LYS LYS TYR ARG LEU 0.407143 0.877193
96 GLY GLY ARG LYS LYS TYR LYS LEU 0.407143 0.877193
97 GLY GLY LYS LYS ARG TYR LYS LEU 0.407143 0.877193
98 GLU VAL TYR GLU SER 0.40625 0.672414
99 THR LYS CYS VAL PHE MET 0.405797 0.688525
100 ILE ASP TRP PHE GLU GLY LYS GLU 0.405063 0.709677
101 THR PHE LYS LYS THR ASN 0.40458 0.754386
102 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.404412 0.6
103 SER ARG LYS ILE ASP ASN LEU ASP 0.40411 0.783333
104 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.403846 0.8
105 GLY ILE LEU GLY PHE VAL PHE THR LEU 0.402778 0.677966
106 LYS VAL ILE THR PHE ILE ASP LEU 0.402778 0.741379
107 ACE GLU ASN LEU TYR PHE GLN SER GLY THR 0.401408 0.629032
108 ARG TYR GLY PHE VAL ALA ASN PHE 0.401316 0.816667
109 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.401274 0.754098
110 LEU GLU LYS ALA ARG GLY SER THR TYR 0.401235 0.836066
111 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.4 0.803279
112 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.4 0.824561
113 PCA PHE ARG HIS ASP SER 0.4 0.783333
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY ASP GLU VAL LYS VAL PHE ARG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback