Receptor
PDB id Resolution Class Description Source Keywords
5U1M 1.8 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE IRS-1 PTB DOMAIN BOUND TO THE JUXTAMEMBRANE THE INSULIN RECEPTOR HOMO SAPIENS PTB DOMAIN INSULIN RECEPTOR SUBSTRATE-1 PHOSPHOPEPTIDE INRECEPTOR PROTEIN BINDING
Ref.: DOMAIN-DEPENDENT EFFECTS OF INSULIN AND IGF-1 RECEP SIGNALLING AND GENE EXPRESSION. NAT COMMUN V. 8 14892 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE LEU TYR ALA SER SER ASN PRO ALA PTR B:1000;
Valid;
none;
submit data
1104.05 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5U1M 1.8 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE IRS-1 PTB DOMAIN BOUND TO THE JUXTAMEMBRANE THE INSULIN RECEPTOR HOMO SAPIENS PTB DOMAIN INSULIN RECEPTOR SUBSTRATE-1 PHOSPHOPEPTIDE INRECEPTOR PROTEIN BINDING
Ref.: DOMAIN-DEPENDENT EFFECTS OF INSULIN AND IGF-1 RECEP SIGNALLING AND GENE EXPRESSION. NAT COMMUN V. 8 14892 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 5U1M - ACE LEU TYR ALA SER SER ASN PRO ALA PTR 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 5U1M - ACE LEU TYR ALA SER SER ASN PRO ALA PTR 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 5U1M - ACE LEU TYR ALA SER SER ASN PRO ALA PTR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE LEU TYR ALA SER SER ASN PRO ALA PTR; Similar ligands found: 72
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 1 1
2 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.593103 0.96
3 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.503226 0.96
4 ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 0.503145 0.835443
5 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.5 0.906667
6 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.493506 0.802632
7 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.491018 0.853333
8 PHE SER ALA PTR PRO SER GLU GLU ASP 0.490066 0.906667
9 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.484076 0.855263
10 ARG ALA HIS SEP SER PRO ALA SER LEU GLN 0.474684 0.858974
11 PRO SER TYR SEP PRO THR SEP PRO SER 0.474026 0.881579
12 N7P THR SEP PRO SER TYR SET 0.473684 0.883117
13 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.47205 0.789474
14 PRO ALA ILE LEU TYR ALA LEU LEU SER SER 0.469799 0.75
15 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.469512 0.842105
16 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.466258 0.868421
17 GLU GLU ASN ASP PRO ASP TYR 0.460432 0.773333
18 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.459627 0.815789
19 GLN ILE MET TYR ASN TYR PRO ALA MET 0.451807 0.765432
20 GLU ALA ASP PRO THR GLY HIS SER TYR 0.450867 0.820513
21 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.450617 0.828947
22 PRO GLN PTR GLU PTR ILE PRO ALA 0.450617 0.87013
23 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.449102 0.792208
24 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.447674 0.921053
25 PRO GLN PTR ILE PTR VAL PRO ALA 0.447205 0.883117
26 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.447205 0.868421
27 ASN ASP TRP LEU LEU PRO SER TYR 0.445087 0.858974
28 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.444444 0.792208
29 ACE PRO ALA PRO TYR 0.443609 0.714286
30 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.441176 0.87013
31 GLY ASN TYR SER PHE TYR ALA LEU 0.440559 0.706667
32 ASP ILE ALA TYR TYR THR SER GLU PRO 0.435897 0.855263
33 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.433526 0.8125
34 HIS SER ILE THR TYR LEU LEU PRO VAL 0.432749 0.822785
35 SER HIS SEP SER PRO ALA SER LEU GLN 0.430233 0.858974
36 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.430233 0.844156
37 TYR SEP PRO THR SEP PRO SER 0.42953 0.881579
38 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.428571 0.8125
39 PRO GLN PTR GLU GLU ILE PRO ILE 0.426829 0.844156
40 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.424242 0.813333
41 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.424242 0.813333
42 SER SER PHE TYR PRO SEP ALA GLU GLY 0.423313 0.906667
43 6NA PTR VAL ASN VAL 9PR 0.423077 0.860759
44 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.422819 0.746667
45 LEU PRO SER PHE GLU THR ALA LEU 0.42236 0.813333
46 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.42236 0.842105
47 LYS PRO PHE PTR VAL ASN VAL NH2 0.421687 0.907895
48 ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG 0.42069 0.68
49 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.418079 0.804878
50 HIS LEU TYR PHE SER SEP ASN 0.416149 0.820513
51 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.414201 0.792208
52 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.409836 0.817073
53 TYR ASP LEU SEP LEU PRO PHE PRO 0.409357 0.934211
54 VAL PRO LEU ARG PRO MET THR TYR 0.409357 0.741176
55 ALA SER LEU ASN LEU PRO ALA VAL SER TRP 0.408046 0.807692
56 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.407407 0.828947
57 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.406593 0.960526
58 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.406593 0.820513
59 GLU VAL PTR GLU SER PRO 0.406452 0.92
60 PTR VAL PRO MET LEU 0.406452 0.810127
61 1IP CYS PHE SER LYS PRO ARG 0.405882 0.731707
62 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.405714 0.740741
63 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.404624 0.828947
64 ARG VAL SER PRO SER THR SER TYR THR PRO 0.403974 0.8
65 SER ASP PTR MET ASN MET THR PRO 0.403614 0.898734
66 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.403409 0.828947
67 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.402597 0.763158
68 PRO ALA PRO PHE ALA SER ALA 0.402597 0.75
69 ARG LEU TYR HIS SEP LEU PRO ALA 0.402235 0.853659
70 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.402174 0.772152
71 SER HIS SEP SER PRO ALA SER LEU 0.401198 0.846154
72 GLN ASN TYR PRO ILE VAL GLN 0.4 0.802632
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE LEU TYR ALA SER SER ASN PRO ALA PTR; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5U1M; Ligand: ACE LEU TYR ALA SER SER ASN PRO ALA PTR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5u1m.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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