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Receptor
PDB id Resolution Class Description Source Keywords
4PGC 2.3 Å NON-ENZYME: IMMUNE MHC CLASS I IN COMPLEX WITH MODIFIED SENDAI VIRUS NUCLEOPROT PEPTIDE FAPGN(3,5-DIIODOTYROSINE)PAL MUS MUSCULUS IMMUNE SYSTEM IMMUNOGLOBULIN DOMAIN IMMUNE RESPONSE IMMUNPEPTIDE COMPLEX
Ref.: THE FIRST STEP OF PEPTIDE SELECTION IN ANTIGEN PRES BY MHC CLASS I MOLECULES. PROC.NATL.ACAD.SCI.USA V. 112 1505 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:103;
B:102;
D:301;
A:301;
B:101;
E:101;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PHE ALA PRO GLY ASN TYI PRO ALA LEU F:1;
C:1;
Valid;
Valid;
none;
none;
submit data
1200.87 n/a Ic1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PGC 2.3 Å NON-ENZYME: IMMUNE MHC CLASS I IN COMPLEX WITH MODIFIED SENDAI VIRUS NUCLEOPROT PEPTIDE FAPGN(3,5-DIIODOTYROSINE)PAL MUS MUSCULUS IMMUNE SYSTEM IMMUNOGLOBULIN DOMAIN IMMUNE RESPONSE IMMUNPEPTIDE COMPLEX
Ref.: THE FIRST STEP OF PEPTIDE SELECTION IN ANTIGEN PRES BY MHC CLASS I MOLECULES. PROC.NATL.ACAD.SCI.USA V. 112 1505 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 4PGC - PHE ALA PRO GLY ASN TYI PRO ALA LEU n/a n/a
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 2DYP - ARG ILE ILE PRO ARG HIS LEU GLN LEU n/a n/a
2 6EWA - ILE LEU LYS GLU PRO VAL HIS GLY VAL n/a n/a
3 6EWO - ARG THR PHE SER PRO THR TYR GLY LEU n/a n/a
4 2X4Q - MSE ILE LEU GLY PRV VAL PHE PRQ VAL n/a n/a
5 2X4T ic50 = 7.33 uM ASN LEU VAL PRW MET VAL ALA THR VAL n/a n/a
6 1IM3 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
7 4N8V - MET LEU ILE TYR SER MET TRP GLY LYS n/a n/a
8 5B39 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
9 5T6Z - THR SER THR LEU GLN GLU GLN ILE GLY TRP n/a n/a
10 5T70 Kd = 102 uM THR SER ASN LEU GLN GLU GLN ILE GLY TRP n/a n/a
11 5B38 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
12 3VH8 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
13 4PGC - PHE ALA PRO GLY ASN TYI PRO ALA LEU n/a n/a
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 2DYP - ARG ILE ILE PRO ARG HIS LEU GLN LEU n/a n/a
2 6EWA - ILE LEU LYS GLU PRO VAL HIS GLY VAL n/a n/a
3 6EWO - ARG THR PHE SER PRO THR TYR GLY LEU n/a n/a
4 2X4Q - MSE ILE LEU GLY PRV VAL PHE PRQ VAL n/a n/a
5 2X4T ic50 = 7.33 uM ASN LEU VAL PRW MET VAL ALA THR VAL n/a n/a
6 1IM3 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
7 4N8V - MET LEU ILE TYR SER MET TRP GLY LYS n/a n/a
8 5B39 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
9 5T6Z - THR SER THR LEU GLN GLU GLN ILE GLY TRP n/a n/a
10 5T70 Kd = 102 uM THR SER ASN LEU GLN GLU GLN ILE GLY TRP n/a n/a
11 5B38 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
12 3VH8 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
13 4PGC - PHE ALA PRO GLY ASN TYI PRO ALA LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PHE ALA PRO GLY ASN TYI PRO ALA LEU; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 PHE ALA PRO GLY ASN TYI PRO ALA LEU 1 1
2 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.854962 0.930556
3 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.688312 0.878378
4 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.586667 0.875
5 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.574194 0.868421
6 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.52071 0.817073
7 PHE ASN PHE PRO GLN ILE THR 0.5 0.810811
8 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.496894 0.821918
9 LEU ASN PHE PRO ILE SER PRO 0.496599 0.813333
10 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.47929 0.783784
11 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.477419 0.837838
12 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.475309 0.847222
13 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.475309 0.847222
14 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.473373 0.88
15 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.47205 0.808219
16 LEU PHE GLY TYR PRO VAL TYR VAL 0.465409 0.847222
17 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.45977 0.878378
18 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.459302 0.849315
19 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.454023 0.837838
20 PHE ASN ARG PRO VAL 0.453947 0.717949
21 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.451977 0.7625
22 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.450867 0.715909
23 SER ASP ILE LEU PHE PRO ALA ASP SER 0.449367 0.773333
24 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.448276 0.863014
25 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.446927 0.7375
26 PHE PRO THR LYS ASP VAL ALA LEU 0.445783 0.821918
27 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.444444 0.861111
28 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.43787 0.824324
29 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.434783 0.876712
30 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.434286 0.783784
31 GLN ASN TYR PRO ILE VAL GLN 0.433962 0.835616
32 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.432927 0.824324
33 PHE SER ALA PTR PRO SER GLU GLU ASP 0.43125 0.728395
34 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.431138 0.824324
35 ARG THR PHE SER PRO THR TYR GLY LEU 0.431034 0.8
36 LEU PRO SER PHE GLU THR ALA LEU 0.429448 0.797297
37 PHE GLU ASP ASN PHE VAL PRO 0.425806 0.833333
38 ARG PHE PRO LEU THR PHE GLY TRP 0.423913 0.765432
39 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.423729 0.797468
40 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.418182 0.717949
41 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.418079 0.863014
42 ARG TYR PRO LEU THR PHE GLY TRP 0.415789 0.790123
43 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.415205 0.716049
44 VAL MET ALA PRO ARG THR LEU PHE LEU 0.414773 0.710843
45 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.414634 0.863014
46 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.41358 0.705128
47 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.411765 0.651163
48 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.410714 0.833333
49 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.409091 0.759494
50 ARG PRO MET THR PHE LYS GLY ALA LEU 0.408602 0.722892
51 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.407821 0.772152
52 PRO ARG GLY TYR PRO GLY GLN VAL 0.406061 0.833333
53 ACE PRO ALA PRO PHE 0.405797 0.712329
54 PHE GLU ALA ASN GLY ASN LEU ILE 0.405063 0.643836
55 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.403141 0.75
56 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.403061 0.768293
57 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.4 0.75
58 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.4 0.775
59 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.4 0.726027
60 GLY ASN TYR SER PHE TYR ALA LEU 0.4 0.689189
61 TRP ASP ILE PRO PHE 0.4 0.726027
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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