Receptor
PDB id Resolution Class Description Source Keywords
5M5S 1.88 Å NON-ENZYME: OTHER CLATHRIN HEAVY CHAIN N-TERMINAL DOMAIN BOUND TO AMPHIPHYSIN BOX MOTIF BOS TAURUS ENDOCYTOSIS
Ref.: CELLULAR AND VIRAL PEPTIDES BIND MULTIPLE SITES ON N-TERMINAL DOMAIN OF CLATHRIN. TRAFFIC V. 18 44 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU THR LEU LEU ASP LEU ASP PHE ASP PRO F:1;
H:1;
E:1;
G:1;
Valid;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.325;
Atoms found LESS than expected: % Diff = 0.06;
Atoms found LESS than expected: % Diff = 0.325;
Atoms found LESS than expected: % Diff = 0.06;
submit data
1101.22 n/a O=C([...
GOL A:401;
B:401;
A:402;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UTC 2.3 Å NON-ENZYME: OTHER CLATHRIN TERMINAL DOMAIN COMPLEXED WITH TLPWDLWTT BOS TAURUS ENDOCYTOSIS CLATHRIN CYTOSKELETON
Ref.: TWO DISTINCT INTERACTION MOTIFS IN AMPHIPHYSIN BIND TWO INDEPENDENT SITES ON THE CLATHRIN TERMINAL DOMAIN BETA-PROPELLER NAT.STRUCT.MOL.BIOL. V. 11 242 2004
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5M5S - GLU THR LEU LEU ASP LEU ASP PHE ASP PRO n/a n/a
2 5M5R - CYS GLY ASP LEU LEU ASN LEU ASP LEU GLY n/a n/a
3 5M5T - GLU THR LEU LEU ASP LEU ASP PHE LEU GLU n/a n/a
4 5M5V - SER PRO ARG LEU PRO LEU LEU GLU SER n/a n/a
5 2XZG - VH1 C19 H13 N2 O5 S c1cc2cc(cc....
6 4G55 - VH2 C20 H15 Br N2 O3 S2 c1ccc2c(c1....
7 5M5U - SER ASP ILE LEU PHE PRO ALA ASP SER n/a n/a
8 1UTC Kd = 28 uM THR LEU PRO TRP ASP LEU TRP THR THR n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5M5S - GLU THR LEU LEU ASP LEU ASP PHE ASP PRO n/a n/a
2 5M5R - CYS GLY ASP LEU LEU ASN LEU ASP LEU GLY n/a n/a
3 5M5T - GLU THR LEU LEU ASP LEU ASP PHE LEU GLU n/a n/a
4 5M5V - SER PRO ARG LEU PRO LEU LEU GLU SER n/a n/a
5 2XZG - VH1 C19 H13 N2 O5 S c1cc2cc(cc....
6 4G55 - VH2 C20 H15 Br N2 O3 S2 c1ccc2c(c1....
7 5M5U - SER ASP ILE LEU PHE PRO ALA ASP SER n/a n/a
8 1UTC Kd = 28 uM THR LEU PRO TRP ASP LEU TRP THR THR n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5M5S - GLU THR LEU LEU ASP LEU ASP PHE ASP PRO n/a n/a
2 5M5R - CYS GLY ASP LEU LEU ASN LEU ASP LEU GLY n/a n/a
3 5M5T - GLU THR LEU LEU ASP LEU ASP PHE LEU GLU n/a n/a
4 5M5V - SER PRO ARG LEU PRO LEU LEU GLU SER n/a n/a
5 2XZG - VH1 C19 H13 N2 O5 S c1cc2cc(cc....
6 4G55 - VH2 C20 H15 Br N2 O3 S2 c1ccc2c(c1....
7 5M5U - SER ASP ILE LEU PHE PRO ALA ASP SER n/a n/a
8 1UTC Kd = 28 uM THR LEU PRO TRP ASP LEU TRP THR THR n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU THR LEU LEU ASP LEU ASP PHE ASP PRO; Similar ligands found: 70
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU THR LEU LEU ASP LEU ASP PHE ASP PRO 1 1
2 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.542636 0.876923
3 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.540541 0.672131
4 PHE GLU ASP ASN PHE VAL PRO 0.528 0.859375
5 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.507812 0.828125
6 SER ASP ILE LEU PHE PRO ALA ASP SER 0.507463 0.919355
7 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.485075 0.90625
8 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.481481 0.822581
9 GLU THR LEU LEU ASP LEU ASP PHE LEU GLU 0.478261 0.661017
10 ALA ASP PBF PTR LEU ILE PRO 0.47651 0.777778
11 ASP LEU THR ARG PRO 0.475806 0.835821
12 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.475177 0.890625
13 ILE ASN PHE ASP PHE ASN THR ILE 0.475 0.65625
14 LYS VAL LEU PHE LEU ASP GLY 0.471545 0.716667
15 LEU PRO PHE ASP LYS THR THR ILE MET 0.469799 0.892308
16 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 0.465649 0.746479
17 PHE PRO THR LYS ASP VAL ALA LEU 0.454545 0.966667
18 GLY ALA GLN THR PHE TYR VAL ASP GLY ALA 0.451128 0.707692
19 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.449367 0.814286
20 LEU PRO PHE ASP LYS SER THR ILE MET 0.448718 0.865672
21 ALA THR PRO PHE GLN GLU 0.448276 0.881356
22 LYS VAL ILE THR PHE ILE ASP LEU 0.44697 0.783333
23 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.446541 0.802817
24 ALA GLU THR PHE TYR VAL ASP GLY 0.445312 0.68254
25 LEU PRO PHE ASP ARG THR THR ILE MET 0.445161 0.794521
26 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.444444 0.859375
27 ILE THR ASP GLN VAL PRO PHE SER VAL 0.442953 0.920635
28 SER LEU PHE ASN THR VAL ALA THR LEU 0.442748 0.666667
29 GLU ASP GLU ASP PHE GLU ILE LEU SER LEU 0.441176 0.725806
30 ASP THR TYR ALA ALA THR PRO ARG 0.44 0.79661
31 MET PHE SER ILE ASP ASN ILE LEU ALA 0.438849 0.647059
32 LEU VAL THR LEU VAL PHE VAL 0.438017 0.644068
33 VAL MET ALA PRO ARG THR LEU PHE LEU 0.437909 0.767123
34 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.433962 0.893939
35 SER LEU PHE ASN THR VAL ALA THR LEU TYR 0.432624 0.626866
36 ALA PRO ASP THR ARG PRO 0.431818 0.797101
37 GLY ALA PHE THR PHE ASN GLU ASP PHE 0.429688 0.650794
38 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.42953 0.75
39 ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN 0.428571 0.629032
40 ALA THR ARG ASN PHE SER GLY 0.428571 0.637681
41 GLY SER ASP PRO PHE LYS 0.427481 0.854839
42 SER LEU PHE ASN THR ILE ALA VAL LEU 0.426471 0.671875
43 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.425373 0.783333
44 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.425197 0.666667
45 ALA PHE THR SER 0.423423 0.606557
46 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.420732 0.808219
47 ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN 0.418033 0.629032
48 GLY ILE LEU GLU PHE VAL PHE THR LEU 0.414815 0.709677
49 SER GLU ASP GLU PHE TYR ASP ALA LEU SER 0.414286 0.692308
50 SER THR SEP PRO THR PHE ASN LYS 0.412903 0.774648
51 MET ASP PRO VAL ASP PRO ASN ILE GLU 0.412844 0.746032
52 ALA GLU THR PHE 0.412281 0.677966
53 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.411348 0.6875
54 LYS ALA LEU TYR ASN PHE ALA THR MET 0.410959 0.695652
55 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.410448 0.606061
56 ALA VAL TYR ASN PHE ALA THR MET 0.410072 0.637681
57 FME TYR PHE ILE ASN ILE LEU THR LEU 0.409722 0.642857
58 THR PRO ASP TYR PHE LEU 0.409449 0.793651
59 VAL VAL ARG PRO GLY SER LEU ASP LEU PRO 0.409091 0.811594
60 ALA THR LYS ILE ASP ASN LEU ASP 0.407692 0.725806
61 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.407643 0.865672
62 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.407407 0.84058
63 GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU 0.406667 0.632353
64 ASP PHE M3L THR ASP 0.40625 0.784615
65 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.406061 0.816901
66 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.405594 0.725806
67 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.405063 0.867647
68 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.404255 0.707692
69 GLU ASN LEU TYR PHE GLN 0.403101 0.661538
70 GLU THR PHE TYR VAL ASP GLY 0.402985 0.71875
Similar Binding Sites (Proteins are less than 50% similar to leader)
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