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([...
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 263 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 196 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 171 families.
1 3R42 Kd = 84 uM GLN VAL PRO SER ASP PRO TYR ASN TYR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLN VAL PRO SER ASP PRO TYR ASN TYR; Similar ligands found: 101
No: Ligand ECFP6 Tc MDL keys Tc
1 GLN VAL PRO SER ASP PRO TYR ASN TYR 1 1
2 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.566434 0.813333
3 GLN ASN TYR PRO ILE VAL GLN 0.550725 0.895522
4 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.550336 0.940298
5 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.545455 0.923077
6 ARG VAL SER PRO SER THR SER TYR THR PRO 0.545455 0.923077
7 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.513514 0.878788
8 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.510204 0.940298
9 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.5 0.846154
10 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.489933 0.895522
11 ILE THR ASP GLN VAL PRO PHE SER VAL 0.487013 0.895522
12 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.485207 0.828947
13 GLN MET PRO THR GLU ASP GLU TYR 0.480263 0.871429
14 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.479167 0.882353
15 GLY SER ASP PRO PHE LYS 0.477941 0.861538
16 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.477419 0.835616
17 ASN ASP TRP LEU LEU PRO SER TYR 0.475309 0.928571
18 ILE MET ASP GLN VAL PRO PHE SER VAL 0.474684 0.830986
19 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.470238 0.876712
20 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.470199 0.811594
21 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.467532 0.873239
22 TYR TYR SER ILE ILE PRO HIS SER ILE 0.467532 0.873239
23 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.4625 0.910448
24 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.461538 0.815789
25 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.459627 0.898551
26 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.459302 0.84058
27 GLU ALA ASP PRO THR GLY HIS SER TYR 0.457831 0.926471
28 N7P THR SEP PRO SER TYR SET 0.456376 0.824324
29 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.453988 0.855072
30 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.451807 0.84
31 SER SER TYR ARG ARG PRO VAL GLY ILE 0.45 0.863014
32 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.447853 0.9
33 TYR TYR SER ILE ALA PRO HIS SER ILE 0.446541 0.847222
34 THR PRO TYR ASP ILE ASN GLN MET LEU 0.445122 0.873239
35 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.443038 0.895522
36 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.442424 0.898551
37 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.442308 0.876712
38 ARG SEP PRO VAL PHE SER 0.442308 0.727273
39 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.440678 0.810811
40 TRP GLU TYR ILE PRO ASN VAL 0.439024 0.859155
41 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.43871 0.837838
42 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.43871 0.794521
43 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.438272 0.84058
44 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.438272 0.863014
45 VAL TYR ILE HIS PRO PHE 0.436709 0.788732
46 SER SER PHE TYR PRO SEP ALA GLU GLY 0.435065 0.783784
47 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.434524 0.869565
48 TYR PRO TYR 0.434426 0.761194
49 PRO THR SEP PRO SER TYR 0.434211 0.819444
50 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.433962 0.695122
51 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.432927 0.955882
52 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.432099 0.849315
53 TYR PRO PHE PHE NH2 0.431818 0.761194
54 HIS SER ILE THR TYR LEU LEU PRO VAL 0.430303 0.9
55 VAL PRO TYR SER SER ALA GLN NAG 0.428571 0.887324
56 TRP ASP ILE PRO PHE 0.428571 0.746269
57 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.428571 0.746269
58 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.427778 0.824324
59 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.427711 0.887324
60 TYR SEP PRO THR SEP PRO SER 0.426573 0.833333
61 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.425926 0.925373
62 LEU PHE GLY TYR PRO VAL TYR VAL 0.425806 0.838235
63 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.424837 0.910448
64 GLY THR SER SER PRO SER ALA ASP 0.423358 0.861538
65 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.423077 0.924242
66 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.422819 0.805556
67 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.42236 0.842105
68 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.42236 0.895522
69 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.421875 0.757576
70 ACE GLN PM3 GLU GLU ILE PRO 0.42069 0.726027
71 PHE SER HIS PRO GLN ASN THR 0.420382 0.897059
72 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.420118 0.897059
73 GLU LYS PRO SER SER SER 0.419847 0.830769
74 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.418182 0.84058
75 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.417647 0.797468
76 ASN LEU VAL PRO SER VAL ALA THR VAL 0.414966 0.893939
77 GLN SER TYR TPO VAL 0.414815 0.694444
78 LEU ASP PRO ARG 0.414815 0.708333
79 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.414013 0.855072
80 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.41358 0.913043
81 ASP ARG VAL TYR ILE HIS PRO PHE 0.412429 0.802632
82 SER ASP ILE LEU PHE PRO ALA ASP SER 0.411765 0.865672
83 SER VAL PRO ILE 0.41129 0.776119
84 SER PRO HIS ASN PRO ILE SER ASP VAL ASP 0.410072 0.880597
85 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.409357 0.901408
86 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.409091 0.786667
87 PHE SER ALA PTR PRO SER GLU GLU ASP 0.408537 0.810811
88 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.408284 0.873239
89 PHE ASN PHE PRO GLN ILE THR 0.407895 0.84058
90 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.407407 0.811594
91 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.407407 0.838235
92 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.407407 0.838235
93 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.406897 0.710145
94 MET TYR TRP TYR PRO TYR 0.406452 0.72973
95 PHE SER ASP PRO TRP GLY GLY 0.40625 0.826087
96 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.405405 0.863636
97 GLY SER ASP PRO TRP LYS 0.403974 0.838235
98 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.403614 0.826087
99 MET LEU LEU SER VAL PRO LEU LEU LEU GLY 0.401408 0.771429
100 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.401235 0.895522
101 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.4 0.893939
Similar Binding Sites (Proteins are less than 50% similar to leader)
Feedback