Receptor
PDB id Resolution Class Description Source Keywords
4J82 1.46 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BETA'-COP/INSIG-2 COMPLEX SACCHAROMYCES CEREVISIAE BETA PROPELLER DOMAIN DILYSINE MOTIF ER RETRIEVAL VESICLETRAFFICKING PROTEIN TRANSPORT
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 SER HIS GLN GLU D:1;
C:1;
Valid;
Valid;
none;
none;
submit data
627.656 n/a O=C([...
View in 3D viewer
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 SER HIS GLN GLU; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS SER HIS GLN GLU 1 1
2 LYS HIS LYS 0.643678 0.846154
3 GLU LYS VAL HIS VAL GLN 0.615385 0.836364
4 PHE ASN GLU LEU SER HIS LEU 0.572816 0.857143
5 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.567308 0.724138
6 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.531469 0.825397
7 ALA SER ASN GLU HIS MET GLU THR MET 0.529412 0.819672
8 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.525424 0.87931
9 SER HIS PHE ASN GLU TYR GLU 0.512 0.847458
10 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.511111 0.822581
11 LYS GLN LYS 0.505747 0.692308
12 GLN GLY HIS GLY GLU 0.504854 0.867925
13 ALA LYS GLU LYS SER ASP 0.5 0.773585
14 PHE SER GLN HIS LYS THR SER TPO ILE 0.485714 0.75
15 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.484127 0.734375
16 ASP ALA GLU PHE ARG HIS ASP 0.478992 0.783333
17 LYS GLU LYS 0.477273 0.673077
18 LYS SER LYS 0.476744 0.769231
19 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.475 0.862069
20 LYS PRO HIS SER ASP 0.475 0.85
21 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.472868 0.762712
22 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.46875 0.725806
23 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.468254 0.69697
24 SER HIS VAL ALA VAL GLU ASN ALA LEU 0.467742 0.859649
25 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.467153 0.746032
26 SER HIS MET ALA GLU ILE 0.466667 0.816667
27 LYS GLY GLY ALA ALY ARG HIS ARG 0.464567 0.746032
28 GLU GLN TYR LYS PHE TYR SER VAL 0.458333 0.737705
29 ALA LYS PHE ARG HIS ASP 0.458333 0.8
30 GLY ALA ARG ALA HIS SER SER 0.452991 0.836066
31 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.450331 0.796875
32 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.449275 0.761905
33 GLU ALA ASP LYS TRP GLN SER 0.448819 0.859649
34 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.448 0.681818
35 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.447761 0.754098
36 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.447368 0.736842
37 TYR GLN SER LYS LEU 0.446429 0.733333
38 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.444444 0.741935
39 LYS ARG ARG ARG HIS PRO SER GLY 0.442748 0.784615
40 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.44186 0.666667
41 GLY SER SER HIS HIS HIS HIS HIS 0.441176 0.839286
42 THR SER ARG HIS LYS ALY LEU MET ALA 0.441176 0.75
43 ALA HIS HIS 0.44086 0.722222
44 THR LYS ASN TYR LYS GLN THR SER VAL 0.44 0.766667
45 GLU LEU ASP HIS TRP ALA SER 0.439394 0.783333
46 VAL VAL SER HIS PHE ASN ASP 0.439024 0.827586
47 GLU GLN ASP LYS TRP ALA SER 0.4375 0.859649
48 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.435897 0.728814
49 THR ASP HIS GLY ALA GLU 0.435897 0.827586
50 THR TYR LYS PHE PHE GLU GLN 0.435897 0.728814
51 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.435714 0.720588
52 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.434483 0.764706
53 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.433824 0.864407
54 GLU ASN GLN LYS GLU TYR PHE PHE 0.432203 0.724138
55 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.431507 0.671429
56 LYS GLY HIS HIS HIS HIS HIS HIS 0.42735 0.8
57 SER HIS LYS ILE ASP ASN LEU ASP 0.421053 0.896552
58 GLU LEU GLU LYS TRP ALA SER 0.420635 0.79661
59 LEU ALA SER LEU GLU SER GLN SER 0.420561 0.684211
60 PHE SER HIS PRO GLN ASN THR 0.42029 0.8125
61 LYS ARG ARG ARG HIS PRO SER 0.419847 0.738462
62 HIS VAL ALA VAL GLU ASN ALA LEU 0.419355 0.785714
63 ACE SER HIS VAL ALA VAL GLU ASN ALA LEU 0.416667 0.844828
64 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 0.412162 0.822581
65 LYS TRP LYS 0.409524 0.763636
66 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.409449 0.746032
67 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.40458 0.774194
68 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.402878 0.864407
69 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 0.402778 0.761194
70 SER GLN TYR TYR TYR ASN SER LEU 0.401709 0.666667
71 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.40146 0.8
72 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.401408 0.742424
73 LYS TYR LYS 0.4 0.678571
74 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.4 0.686567
75 PHE LEU GLU LYS 0.4 0.631579
76 ALA GLN PHE SER ALA SER ALA SER ARG 0.4 0.704918
Similar Binding Sites (Proteins are less than 50% similar to leader)
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