Receptor
PDB id Resolution Class Description Source Keywords
4J78 1.48 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BETA'-COP/EMP47P COMPLEX SACCHAROMYCES CEREVISIAE BETA PROPELLER DOMAIN DILYSINE MOTIF ER RETRIEVAL PROTEINTRANSPORT
Ref.: RULES FOR THE RECOGNITION OF DILYSINE RETRIEVAL MOT COATOMER. EMBO J. V. 32 926 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS THR LYS LEU LEU B:1;
Valid;
none;
submit data
603.806 n/a O=C([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4J73 1.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BETA'-COP/P25 COMPLEX SACCHAROMYCES CEREVISIAE BETA PROPELLER DILYSINE MOTIF ER RETRIEVAL SIGNAL COATOMERECOGNITION PROTEIN TRANSPORT
Ref.: RULES FOR THE RECOGNITION OF DILYSINE RETRIEVAL MOT COATOMER. EMBO J. V. 32 926 2013
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4J84 - ALA ARG LYS LEU ASP n/a n/a
2 4J77 - ALA LYS GLU LYS SER ASP n/a n/a
3 4J79 - GLU LYS VAL HIS VAL GLN n/a n/a
4 2YNO - ALA ALA ALA ALA ALA n/a n/a
5 4J73 - PHE GLU ALA LYS LYS LEU VAL n/a n/a
6 4J81 - LYS PRO HIS SER ASP n/a n/a
7 2YNN - CYS THR PHE LYS THR LYS THR ASN n/a n/a
8 4J78 - LYS THR LYS LEU LEU n/a n/a
9 4J82 - LYS SER HIS GLN GLU n/a n/a
10 4J86 - THR PHE LYS LYS THR ASN n/a n/a
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4J84 - ALA ARG LYS LEU ASP n/a n/a
2 4J77 - ALA LYS GLU LYS SER ASP n/a n/a
3 4J79 - GLU LYS VAL HIS VAL GLN n/a n/a
4 2YNO - ALA ALA ALA ALA ALA n/a n/a
5 4J73 - PHE GLU ALA LYS LYS LEU VAL n/a n/a
6 4J81 - LYS PRO HIS SER ASP n/a n/a
7 2YNN - CYS THR PHE LYS THR LYS THR ASN n/a n/a
8 4J78 - LYS THR LYS LEU LEU n/a n/a
9 4J82 - LYS SER HIS GLN GLU n/a n/a
10 4J86 - THR PHE LYS LYS THR ASN n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4J84 - ALA ARG LYS LEU ASP n/a n/a
2 4J77 - ALA LYS GLU LYS SER ASP n/a n/a
3 4J79 - GLU LYS VAL HIS VAL GLN n/a n/a
4 2YNO - ALA ALA ALA ALA ALA n/a n/a
5 4J73 - PHE GLU ALA LYS LYS LEU VAL n/a n/a
6 4J81 - LYS PRO HIS SER ASP n/a n/a
7 2YNN - CYS THR PHE LYS THR LYS THR ASN n/a n/a
8 4J78 - LYS THR LYS LEU LEU n/a n/a
9 4J82 - LYS SER HIS GLN GLU n/a n/a
10 4J86 - THR PHE LYS LYS THR ASN n/a n/a
11 4J8B - LEU LYS THR LYS LEU LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LYS THR LYS LEU LEU; Similar ligands found: 99
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS THR LYS LEU LEU 1 1
2 LEU LYS THR LYS LEU LEU 0.8 1
3 LYS THR LYS 0.666667 0.930233
4 LYS LEU LYS 0.61194 0.883721
5 LYS LEU VAL GLN LEU LEU THR THR THR 0.611765 0.913043
6 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.595506 0.895833
7 SER LEU LYS LEU MET THR THR VAL 0.581395 0.84
8 HIS GLU GLU LEU ALA LYS LEU 0.576923 0.840909
9 LEU THR THR LYS LEU THR ASN THR ASN ILE 0.573034 0.857143
10 LYS ASN LEU 0.555556 0.847826
11 LYS LYS LYS 0.537313 0.790698
12 ARG ASP ARG ALA ALA LYS LEU 0.535714 0.745098
13 ALA ARG LYS LEU ASP 0.53012 0.75
14 LYS LYS LYS ALA 0.528571 0.813953
15 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.512821 0.911111
16 SER LEU LEU LYS LYS LEU LEU ASP 0.512195 0.893617
17 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.506173 0.911111
18 LYS VAL LYS 0.5 0.860465
19 LYS LEU THR PRO LEU CYS VAL THR LEU 0.495327 0.741379
20 PHE GLU ALA LYS LYS LEU VAL 0.493827 0.883721
21 LYS ILE LYS 0.493333 0.840909
22 LYS NLE LYS 0.493151 0.8
23 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.490909 0.763636
24 GLU ALA GLN THR ARG LEU 0.489796 0.788462
25 CYS THR GLU LEU LYS LEU SER ASP TYR 0.486486 0.777778
26 LYS DAB LYS 0.485714 0.772727
27 LEU LEU LEU 0.485294 0.72093
28 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.484848 0.792453
29 LYS VAL ILE THR PHE ILE ASP LEU 0.481132 0.857143
30 LYS NVA LYS 0.479452 0.818182
31 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.471698 0.767857
32 LYS ILE LEU GLY PRV VAL PHE PRQ VAL 0.471264 0.755102
33 LYS LYS 0.469697 0.72093
34 ACE CSO ARG ALA THR LYS MET LEU 0.463636 0.671875
35 ALA THR LYS ILE ASP ASN LEU ASP 0.460784 0.857143
36 ASP GLU THR ASN LEU 0.460674 0.791667
37 ARG ARG ALA THR LYS MET NH2 0.454545 0.732143
38 LYS MET LYS 0.454545 0.765957
39 THR ARG ARG GLU THR GLN LEU 0.453608 0.792453
40 LYS GLU LYS 0.453333 0.772727
41 LYS ALA LYS 0.452055 0.813953
42 LYS SER LYS 0.452055 0.844444
43 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.45 0.653846
44 ASN SER THR LEU GLN 0.449438 0.77551
45 LYS GLN LYS 0.447368 0.755556
46 LYS DPP LYS 0.444444 0.795455
47 LYS ARG LYS 0.443038 0.666667
48 CYS THR PHE LYS THR LYS THR ASN 0.44 0.788462
49 TYR GLN SER LYS LEU 0.438776 0.792453
50 ALA ARG THR GLU LEU TYR ARG SER LEU 0.438596 0.7
51 SER LEU ALA ASN THR VAL ALA THR LEU 0.4375 0.755102
52 SER LEU LYS ILE ASP ASN LEU ASP 0.436893 0.803922
53 LYS ORN LYS 0.435897 0.755556
54 LYS GLY PRO PRO ALA ALA LEU THR LEU 0.435897 0.728814
55 GLU ALA THR GLN LEU MET ASN 0.435644 0.816327
56 SER GLU LEU GLU ILE LYS ARG TYR 0.434783 0.716667
57 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.433333 0.767857
58 LYS CYS LYS 0.432432 0.777778
59 ALA LYS GLU LYS SER ASP 0.430233 0.808511
60 ALA PRO ALA LEU ARG VAL VAL LYS 0.430108 0.745098
61 LYS ALA VAL TYR ASN LEU ALA THR MET 0.428571 0.736842
62 SER LEU TYR LEU THR VAL ALA THR LEU 0.427184 0.711538
63 SER ASP LYS ILE ASP ASN LEU ASP 0.427184 0.803922
64 LYS ASP LYS 0.426667 0.795455
65 ASP GLU LEU GLU ILE LYS ALA TYR 0.424779 0.803922
66 SER LEU LEU MET TRP ILE THR GLN LEU 0.421488 0.625
67 LYS ASN LYS 0.421053 0.782609
68 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.421053 0.666667
69 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.420561 0.823529
70 LYS LEU LEU PHE 0.420455 0.76087
71 GLY GLY LYS LYS LYS TYR LYS LEU 0.418367 0.769231
72 MET ABA LEU ARG MET THR ALA VAL MET 0.418182 0.75
73 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.418033 0.65625
74 ASN LEU LEU GLN LYS LYS 0.417582 0.804348
75 LYS SER LYS THR CMT GER 0.417476 0.811321
76 PHE LEU GLU LYS 0.414894 0.787234
77 THR PHE LYS LYS THR ASN 0.414141 0.82
78 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 0.413793 0.677419
79 GLN ARG ALA THR LYS MET NH2 0.413462 0.732143
80 LYS VAL LEU PHE LEU ASP GLY 0.413462 0.77551
81 SER LEU LYS ILE ASP ASN GLU ASP 0.412844 0.803922
82 ALA ALA LEU THR ARG ALA 0.412371 0.784314
83 LYS ALA LEU TYR ASN PHE ALA THR MET 0.409836 0.711864
84 LYS ALA THR LYS MLY 0.409639 0.86
85 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.409091 0.741379
86 MET CYS LEU ARG MET THR ALA VAL MET 0.40708 0.75
87 THR LYS ASN TYR LYS GLN THR SER VAL 0.40708 0.763636
88 GLU ILE ILE ASN PHE GLU LYS LEU 0.40708 0.8
89 LYS PRO VAL LEU ARG THR ALA 0.405172 0.68254
90 ASP LEU LYS ILE ASP ASN LEU ASP 0.403846 0.795918
91 SER ALA LYS ILE ASP ASN LEU ASP 0.40367 0.803922
92 GLN PHE LYS ASP ASN VAL ILE LEU LEU 0.403361 0.75
93 PHE PRO THR LYS ASP VAL ALA LEU 0.403226 0.728814
94 GLU ASP LEU 0.402597 0.772727
95 ASN ARG LEU LEU LEU THR GLY 0.402174 0.773585
96 ACE VAL LYS GLU SER LEU VAL 0.402062 0.891304
97 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.402062 0.759259
98 SER LEU LYS ILE ASP ASN MET ASP 0.401786 0.745455
99 ALA LEU ALA LEU 0.4 0.72093
Similar Binding Sites (Proteins are less than 50% similar to leader)
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