Receptor
PDB id Resolution Class Description Source Keywords
3R42 1.87 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE YEAST VPS23 UEV DOMAIN IN COMPLEX W VPS27 PSDP PEPTIDE SACCHAROMYCES CEREVISIAE ENDOSOMAL SORTING ESCRT PROTEIN TRANSPORT
Ref.: STRUCTURAL BASIS FOR ENDOSOMAL RECRUITMENT OF ESCRT ESCRT-0 IN YEAST. EMBO J. V. 30 2130 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLN VAL PRO SER ASP PRO TYR ASN TYR B:445;
 Valid;
 none;
 Kd = 84 uM
902.96 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R42 1.87 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE YEAST VPS23 UEV DOMAIN IN COMPLEX W VPS27 PSDP PEPTIDE SACCHAROMYCES CEREVISIAE ENDOSOMAL SORTING ESCRT PROTEIN TRANSPORT
Ref.: STRUCTURAL BASIS FOR ENDOSOMAL RECRUITMENT OF ESCRT ESCRT-0 IN YEAST. EMBO J. V. 30 2130 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 3R42 Kd = 84 uM GLN VAL PRO SER ASP PRO TYR ASN TYR 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 214 families.
1 3R42 Kd = 84 uM GLN VAL PRO SER ASP PRO TYR ASN TYR 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 181 families.
1 3R42 Kd = 84 uM GLN VAL PRO SER ASP PRO TYR ASN TYR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLN VAL PRO SER ASP PRO TYR ASN TYR; Similar ligands found: 112
No: Ligand ECFP6 Tc MDL keys Tc
1 GLN VAL PRO SER ASP PRO TYR ASN TYR 1 1
2 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.578947 0.895522
3 GLN ASN TYR PRO ILE VAL GLN 0.557971 0.895522
4 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.557047 0.940298
5 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.553191 0.813333
6 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.541667 0.882353
7 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.538462 0.909091
8 ARG VAL SER PRO SER THR SER TYR THR PRO 0.537879 0.923077
9 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.534247 0.893939
10 GLU GLU ASN ASP PRO ASP TYR 0.515625 0.892308
11 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.510204 0.828571
12 ILE THR ASP GLN VAL PRO PHE SER VAL 0.496732 0.895522
13 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.493506 0.835616
14 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.493333 0.926471
15 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.493243 0.940298
16 SER PRO ILE VAL PRO SER PHE ASP MET 0.490196 0.859155
17 TYR TYR SER ILE ILE PRO HIS SER ILE 0.490066 0.887324
18 GLN MET PRO THR GLU ASP GLU TYR 0.486842 0.871429
19 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.484375 0.892308
20 ILE MET ASP GLN VAL PRO PHE SER VAL 0.484076 0.830986
21 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.482558 0.828947
22 GLN ILE MET TYR ASN TYR PRO ALA MET 0.477707 0.821918
23 ACE GLY PHE GLY VAL VAL PRO SER PHE TYR 0.475524 0.835821
24 THR PRO TYR ASP ILE ASN GLN MET LEU 0.471698 0.873239
25 ASN ASP TRP LEU LEU PRO SER TYR 0.469512 0.928571
26 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.469388 0.897059
27 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.469136 0.869565
28 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.466667 0.791667
29 GLU ALA ASP PRO THR GLY HIS SER TYR 0.466667 0.941176
30 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.461538 0.828947
31 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.460432 0.861538
32 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.460123 0.925373
33 TYR TYR SER ILE ALA PRO HIS SER ILE 0.458599 0.861111
34 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.45679 0.914286
35 GLU PRO VAL GLU THR THR ASP TYR 0.455782 0.938462
36 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.453988 0.913043
37 SER SER TYR ARG ARG PRO VAL GLY ILE 0.45283 0.863014
38 N7P THR SEP PRO SER TYR SET 0.452703 0.824324
39 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.452229 0.895522
40 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.451613 0.855072
41 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.449102 0.84
42 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.448718 0.910448
43 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.448718 0.910448
44 ASP ILE ASN TYR TYR THR SER GLU PRO 0.448052 0.913043
45 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.44586 0.690476
46 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.44586 0.887324
47 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.445161 0.913043
48 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.445161 0.876712
49 PRO SER TYR SEP PRO THR SEP PRO SER 0.443709 0.847222
50 VAL PRO TYR SER SER ALA GLN NAG 0.443709 0.901408
51 GLY SER ASP PRO PHE LYS 0.442857 0.876923
52 TRP GLU TYR ILE PRO ASN VAL 0.442424 0.859155
53 ASP TYR ILE ASN THR ASN VAL LEU PRO 0.440789 0.925373
54 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.439759 0.869565
55 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.439759 0.913043
56 HIS SER ILE THR TYR LEU LEU PRO VAL 0.439024 0.914286
57 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.438272 0.855072
58 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.438202 0.869565
59 LEU PHE GLY TYR PRO VAL TYR VAL 0.437909 0.852941
60 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.434783 0.849315
61 ACE TYR PRO ILE GLN GLU THR 0.433333 0.838235
62 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.432258 0.851351
63 GLU TYR GLY PRO LYS TRP ASN LYS 0.430556 0.861538
64 ARG SEP PRO VAL PHE SER 0.43038 0.727273
65 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.428571 0.897059
66 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.427778 0.824324
67 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.427711 0.887324
68 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.427673 0.794521
69 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.427586 0.878788
70 ALA THR PRO PHE GLN GLU 0.427586 0.846154
71 TYR PRO PHE PHE NH2 0.427481 0.776119
72 TYR SEP PRO THR SEP PRO SER 0.426573 0.847222
73 TYR PRO TYR 0.42623 0.776119
74 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.425806 0.924242
75 GLY THR SER SER PRO SER ALA ASP 0.423358 0.861538
76 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.423313 0.925373
77 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.422619 0.901408
78 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.42236 0.842105
79 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.422078 0.925373
80 ARG THR PHE SER PRO THR TYR GLY LEU 0.421687 0.851351
81 GLN SER TYR TPO VAL 0.419118 0.694444
82 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.418605 0.797468
83 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.418182 0.925373
84 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.417178 0.863014
85 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.417178 0.8
86 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.416149 0.826087
87 LEU ASP PRO ARG 0.416058 0.722222
88 PHE SER HIS PRO GLN ASN THR 0.415094 0.897059
89 ASN LEU VAL PRO SER VAL ALA THR VAL 0.414966 0.893939
90 ASP ILE ALA TYR TYR THR SER GLU PRO 0.414474 0.898551
91 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.4125 0.852941
92 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.4125 0.852941
93 ASP LEU PRO PHE 0.411765 0.80303
94 LEU SER SER PRO VAL THR LYS SER PHE 0.411392 0.893939
95 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.411043 0.913043
96 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.411043 0.828571
97 DHI PRO PHE HIS LEU LEU VAL TYR 0.410714 0.828571
98 GLU LYS PRO SER SER SER 0.410448 0.846154
99 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.408284 0.855072
100 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.407186 0.873239
101 ASN GLN DPR TRP GLN 0.406667 0.764706
102 PHE ASN PHE PRO GLN ILE THR 0.405229 0.84058
103 MET TYR TRP TYR PRO TYR 0.405063 0.743243
104 PRO ARG GLY TYR PRO GLY GLN VAL 0.403846 0.893939
105 PHE SER ASP PRO TRP GLY GLY 0.403727 0.84058
106 SER VAL PRO ILE 0.403226 0.820895
107 ASN ARG PRO VAL TYR ILE PRO PRO PRO PRO 0.402685 0.865672
108 SER SER PHE TYR PRO SEP ALA GLU GLY 0.402516 0.797297
109 GLU PHE SER PRO 0.401515 0.830769
110 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.401316 0.910448
111 LEU PRO SER PHE GLU THR ALA LEU 0.401274 0.909091
112 PRO GLN PTR ILE PTR VAL PRO ALA 0.4 0.776316
Similar Ligands (3D)
Ligand no: 1; Ligand: GLN VAL PRO SER ASP PRO TYR ASN TYR; 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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