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 CRYSTAL STRUCTURE PHYLOGENY SYS-1 POP-1 CAENORHABDITIS ELEGANS DEVELOPMENTAL PROTEIN DNA-BINDINGNUCLEUS CELL ADHESION/TRANSCRIPTION COMPLEX
Ref.: THE C. ELEGANS SYS-1 PROTEIN IS A BONA FIDE BETA-CATENIN. 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([...
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 CRYSTAL STRUCTURE PHYLOGENY SYS-1 POP-1 CAENORHABDITIS ELEGANS DEVELOPMENTAL PROTEIN DNA-BINDINGNUCLEUS CELL ADHESION/TRANSCRIPTION COMPLEX
Ref.: THE C. ELEGANS SYS-1 PROTEIN IS A BONA FIDE BETA-CATENIN. 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 1256 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 1068 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 922 families.
1 3C2G - GLY ASP GLU VAL LYS VAL PHE ARG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY ASP GLU VAL LYS VAL PHE ARG; Similar ligands found: 111
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ASP GLU VAL LYS VAL PHE ARG 1 1
2 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.571429 0.87037
3 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.57037 0.813559
4 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.556391 0.827586
5 GLU THR VAL ARG PHE GLN SER ASP 0.552239 0.842105
6 GLY ARG PHE GLN VAL THR 0.512605 0.901961
7 ALA GLU THR PHE TYR VAL ASP GLY 0.512 0.606557
8 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.507246 0.833333
9 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.496183 0.694915
10 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.486111 0.944444
11 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.482759 0.761905
12 ASP ALA GLU PHE ARG HIS ASP SER 0.481752 0.79661
13 GLY ASN PHE LEU GLN SER ARG 0.481203 0.844828
14 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.477941 0.859649
15 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.474453 0.66129
16 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.473282 0.924528
17 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.467153 0.816667
18 SER SER ARG LYS GLU TYR TYR ALA 0.464 0.827586
19 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.464 0.941176
20 THR PHE GLN ALA PSA LEU ARG GLU 0.463087 0.847458
21 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.462963 0.708333
22 ASP ALA GLU PHE ARG HIS ASP 0.462121 0.79661
23 ASP PHE M3L THR ASP 0.460317 0.61194
24 ARG ILE PHE SER 0.459677 0.785714
25 VAL ALA PHE ARG SER 0.459677 0.833333
26 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.459259 0.688525
27 LYS VAL LEU PHE LEU ASP GLY 0.456693 0.826923
28 ALA ARG THR LYS GLN THR ALA ARG LYS 0.456693 0.803571
29 ALA ARG THR LYS GLN THR ALA ARG 0.456693 0.803571
30 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.455224 0.661017
31 ALA LYS PHE ARG HIS ASP 0.454545 0.813559
32 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.454545 0.740741
33 ASP ASP MET GLY PHE GLY LEU PHE ASP 0.454545 0.740741
34 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.453901 0.736842
35 LYS PHE LYS 0.453704 0.666667
36 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.453333 0.786885
37 ASP PHE GLU GLU ILE 0.449153 0.698113
38 SER ILE ILE ASN PHE GLU LYS LEU 0.448529 0.728814
39 GLU ILE ILE ASN PHE GLU LYS LEU 0.448529 0.781818
40 ALA TYR ARG 0.447368 0.767857
41 SER GLU ILE GLU PHE ALA ARG LEU 0.442857 0.842105
42 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.438849 0.754098
43 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.438462 0.6
44 GLY ASP GLU GLU THR GLY GLU 0.438017 0.660714
45 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.4375 0.830508
46 ALA THR ARG ASN PHE SER GLY 0.437037 0.810345
47 ARG VAL LEU PHE GLU ALA MET 0.43662 0.875
48 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.436508 0.846154
49 ACE VAL PHE PHE ALA GLU ASP NH2 0.435484 0.698113
50 GLU VAL TYR GLU SER 0.434426 0.655172
51 SER SER ILE GLU PHE ALA ARG LEU 0.433566 0.827586
52 GLU GLN TYR LYS PHE TYR SER VAL 0.432836 0.721311
53 LYS ARG LYS ARG LYS ARG LYS ARG 0.432432 0.769231
54 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.432258 0.757576
55 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.432258 0.75
56 SER ILE ILE GLY PHE GLU LYS LEU 0.431655 0.754386
57 PRO GLU GLY ASP PM3 GLU GLU VAL LEU 0.430657 0.728814
58 THR LYS ASN TYR LYS GLN PHE SER VAL 0.42963 0.68254
59 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.429577 0.628571
60 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.428571 0.813559
61 ACE ALA ARG THR GLU VAL TYR NH2 0.425373 0.827586
62 THR ASN GLU TYR LYS VAL 0.425197 0.736842
63 ACE MET GLU GLU VAL PHE 0.424 0.666667
64 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.423358 0.736842
65 THR TYR LYS PHE PHE GLU GLN 0.423077 0.683333
66 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.423077 0.683333
67 ALA ARG LYS ILE ASP ASN LEU ASP 0.422222 0.824561
68 GLU THR PHE TYR VAL ASP GLY 0.422222 0.672131
69 CYS THR PHE LYS THR LYS THR ASN 0.421875 0.741379
70 ARG ABA VAL ILE PHE ALA ASN ILE 0.421429 0.872727
71 PHQ LEU VAL ARG TYR 0.421429 0.730159
72 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.421053 0.605634
73 THR ARG SER GLY ALY VAL MET ARG ARG LEU 0.421053 0.775862
74 VAL ASN ASP ILE PHE GLU ALA ILE 0.42029 0.666667
75 ILE ASP TRP PHE GLU GLY LYS GLU 0.42 0.693548
76 ILE ASP TRP PHE ASP GLY LYS GLU 0.42 0.666667
77 GLU ASN GLN LYS GLU TYR PHE PHE 0.419847 0.677966
78 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.419118 0.785714
79 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.419118 0.785714
80 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.41844 0.677966
81 VAL GLN GLN GLU SER SER PHE VAL MET 0.41791 0.672131
82 PHE ARG SER LYS GLY GLU GLU LEU PHE THR 0.417219 0.786885
83 GLU ALY ARG 0.413793 0.830189
84 THR LYS CYS VAL PHE MET 0.413534 0.672131
85 ALA PRO ALA LEU ARG VAL VAL LYS 0.413223 0.865385
86 LYS VAL ILE THR PHE ILE ASP LEU 0.413043 0.706897
87 THR PHE LYS LYS THR ASN 0.412698 0.736842
88 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.412587 0.645161
89 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.412162 0.813559
90 ARG TYR GLY PHE VAL ALA ASN PHE 0.410959 0.816667
91 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.410596 0.8
92 GLN VAL ASN PHE LEU GLY LYS 0.410072 0.833333
93 SER GLU LEU GLU ILE LYS ARG TYR 0.409722 0.819672
94 PCA PHE ARG HIS ASP SER 0.409722 0.783333
95 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.409722 0.824561
96 ACE ARG GLU PTR VAL ASN VAL 0.409722 0.727273
97 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.408805 0.746269
98 GLY ARG GLY ASP SER PRO 0.408333 0.796296
99 LEU GLU PHE GLN GLY 0.408 0.807692
100 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.407895 0.754098
101 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.407692 0.735849
102 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.406667 0.630769
103 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.405172 0.843137
104 GLU LEU LYS TPO GLU ARG TYR 0.40411 0.757576
105 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.403409 0.704225
106 ALA ARG THR GLU LEU TYR ARG SER LEU 0.402778 0.803279
107 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.402299 0.735294
108 PHE LEU GLU LYS 0.401639 0.769231
109 ALA GLN PHE SER ALA SER ALA SER ARG 0.401515 0.839286
110 GLU LEU ASP 1OL VAL GLU PHE 0.401408 0.722222
111 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.4 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
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