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 225 families.
1 4PGC - PHE ALA PRO GLY ASN TYI PRO ALA LEU n/a n/a
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 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 6V3J - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
9 5B39 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
10 5T6Z - THR SER THR LEU GLN GLU GLN ILE GLY TRP n/a n/a
11 5T70 Kd = 102 uM THR SER ASN LEU GLN GLU GLN ILE GLY TRP n/a n/a
12 5B38 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
13 3VH8 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
14 4PGC - PHE ALA PRO GLY ASN TYI PRO ALA LEU n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 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 6V3J - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
9 5B39 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
10 5T6Z - THR SER THR LEU GLN GLU GLN ILE GLY TRP n/a n/a
11 5T70 Kd = 102 uM THR SER ASN LEU GLN GLU GLN ILE GLY TRP n/a n/a
12 5B38 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
13 3VH8 - LEU SER SER PRO VAL THR LYS SER PHE n/a n/a
14 4PGC - PHE ALA PRO GLY ASN TYI PRO ALA LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PHE ALA PRO GLY ASN TYI PRO ALA LEU; Similar ligands found: 68
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 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.456647 0.75
20 THR THR ALA PRO PHE LEU SER GLY LYS 0.45509 0.824324
21 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.454023 0.837838
22 PHE ASN ARG PRO VAL 0.453947 0.717949
23 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.451219 0.736842
24 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.450867 0.715909
25 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.448276 0.863014
26 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.446927 0.7375
27 PHE PRO THR LYS ASP VAL ALA LEU 0.445783 0.821918
28 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.444444 0.861111
29 GLN ILE MET TYR ASN TYR PRO ALA MET 0.441176 0.818182
30 ACE GLY LYS SER PHE SER LYS PRO ARG 0.440252 0.773333
31 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.43787 0.824324
32 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.434783 0.876712
33 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.434286 0.783784
34 GLN ASN TYR PRO ILE VAL GLN 0.433962 0.835616
35 PHE SER HIS PRO GLN ASN THR 0.433735 0.789474
36 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.432927 0.824324
37 PHE SER ALA PTR PRO SER GLU GLU ASP 0.43125 0.728395
38 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.431138 0.824324
39 ARG THR PHE SER PRO THR TYR GLY LEU 0.431034 0.8
40 LEU PRO SER PHE GLU THR ALA LEU 0.429448 0.797297
41 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.427711 0.916667
42 PHE GLU ASP ASN PHE VAL PRO 0.425806 0.833333
43 ASP PHE ALA ASN THR PHE LEU PRO 0.425 0.849315
44 TYR ASP LEU SEP LEU PRO PHE PRO 0.424419 0.777778
45 ARG PHE PRO LEU THR PHE GLY TRP 0.423913 0.765432
46 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.423729 0.797468
47 ALA SER LEU ASN LEU PRO ALA VAL SER TRP 0.422857 0.815789
48 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.418182 0.717949
49 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.418079 0.863014
50 PHE CYS HIS PRO GLN ASN THR NH2 0.416667 0.776316
51 ARG TYR PRO LEU THR PHE GLY TRP 0.415789 0.790123
52 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.415205 0.716049
53 VAL MET ALA PRO ARG THR LEU PHE LEU 0.414773 0.710843
54 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.414634 0.863014
55 ASP LEU PRO PHE 0.413793 0.75
56 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.41358 0.705128
57 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.410714 0.833333
58 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.409091 0.759494
59 ARG PRO MET THR PHE LYS GLY ALA LEU 0.408602 0.722892
60 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.407821 0.772152
61 PRO ARG GLY TYR PRO GLY GLN VAL 0.406061 0.833333
62 ACE PRO ALA PRO PHE 0.405797 0.712329
63 PHE GLU ALA ASN GLY ASN LEU ILE 0.405063 0.643836
64 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.403141 0.75
65 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.403061 0.768293
66 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.4 0.775
67 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.4 0.75
68 GLY ASN TYR SER PHE TYR ALA LEU 0.4 0.689189
Similar Ligands (3D)
Ligand no: 1; Ligand: PHE ALA PRO GLY ASN TYI PRO ALA LEU; 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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