Receptor
PDB id Resolution Class Description Source Keywords
5D6Y 2.29 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DOUBLE TUDOR DOMAIN OF HUMAN LYSINE DEM KDM4A COMPLEXED WITH HISTONE H3K23ME3 HOMO SAPIENS DOUBLE TUDOR DOMAIN READER DOMAIN STRUCTURAL GENOMICS PSIPROTEIN STRUCTURE INITIATIVE ENZYME DISCOVERY FOR NATURAL BIOSYNTHESIS NATPRO OXIDOREDUCTASE
Ref.: READER DOMAIN SPECIFICITY AND LYSINE DEMETHYLASE-4 FUNCTION. NAT COMMUN V. 7 13387 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLN LEU ALA THR M3L ALA ALA ARG LYS SER D:20;
C:20;
A:19;
B:19;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 2.2 uM
1016.3 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5D6Y 2.29 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DOUBLE TUDOR DOMAIN OF HUMAN LYSINE DEM KDM4A COMPLEXED WITH HISTONE H3K23ME3 HOMO SAPIENS DOUBLE TUDOR DOMAIN READER DOMAIN STRUCTURAL GENOMICS PSIPROTEIN STRUCTURE INITIATIVE ENZYME DISCOVERY FOR NATURAL BIOSYNTHESIS NATPRO OXIDOREDUCTASE
Ref.: READER DOMAIN SPECIFICITY AND LYSINE DEMETHYLASE-4 FUNCTION. NAT COMMUN V. 7 13387 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5D6Y Kd = 2.2 uM GLN LEU ALA THR M3L ALA ALA ARG LYS SER n/a n/a
2 2GFA Kd = 10.4 uM ALA ARG THR M3L GLN THR ALA ARG LYS SER n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5D6Y Kd = 2.2 uM GLN LEU ALA THR M3L ALA ALA ARG LYS SER n/a n/a
2 2GFA Kd = 10.4 uM ALA ARG THR M3L GLN THR ALA ARG LYS SER n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5D6Y Kd = 2.2 uM GLN LEU ALA THR M3L ALA ALA ARG LYS SER n/a n/a
2 2GFA Kd = 10.4 uM ALA ARG THR M3L GLN THR ALA ARG LYS SER n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLN LEU ALA THR M3L ALA ALA ARG LYS SER; Similar ligands found: 72
No: Ligand ECFP6 Tc MDL keys Tc
1 GLN LEU ALA THR M3L ALA ALA ARG LYS SER 1 1
2 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.628788 1
3 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.606557 0.983871
4 GLN THR ALA ARG M3L SER THR GLY 0.592 0.983871
5 GLN ARG ALA THR LYS MET NH2 0.571429 0.854839
6 ALA ARG THR LYS GLN THR ALA ARG 0.558333 0.819672
7 ALA ARG THR LYS GLN THR ALA ARG LYS 0.558333 0.819672
8 GLU ALA GLN THR ARG LEU 0.53719 0.790323
9 ALA ARG THR M3L GLN THR ALA ARG 0.536585 0.983871
10 LYS ALA ALA ARG M3L SER ALA 0.52459 0.951613
11 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.520661 1
12 ALA ARG THR M3L GLN THR ALA 0.520661 1
13 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.520661 1
14 ALA ARG THR M3L GLN THR ALA ARG LYS 0.516393 1
15 ALA ALA LEU THR ARG ALA 0.512821 0.786885
16 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.512195 0.819672
17 ALA ARG THR MLY GLN THR ALA ARG LYS 0.511811 0.967213
18 ALA THR PRK ALA ALA ARG LYS SER 0.504274 0.68254
19 ACE ALA ARG THR LYS GLN 0.5 0.786885
20 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.5 0.777778
21 ARG ARG ALA THR LYS MET NH2 0.495935 0.854839
22 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.487603 0.95082
23 LYS GLN THR ALA ARG M3L SER THR GLY 0.484375 0.983871
24 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.484127 0.822581
25 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.47482 1
26 THR ALA ARG M3L SER THR 0.469027 0.919355
27 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.466165 0.746032
28 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.466165 0.746032
29 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.465753 0.720588
30 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.4625 0.824324
31 ALA ARG M3L SER 0.46087 0.919355
32 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.458647 0.887097
33 ASN LEU LEU GLN LYS LYS 0.456897 0.629032
34 ARG ASP ARG ALA ALA LYS LEU 0.456897 0.725806
35 ACE CSO ARG ALA THR LYS MET LEU 0.456522 0.811594
36 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.453782 0.758065
37 LYS ARG LYS ARG LYS ARG LYS ARG 0.45045 0.672131
38 ALA ALA THR M3L GLN THR ALA ARG 0.445455 0.836066
39 THR ALA ARG M3L SER THR GLY GLY LYS ALA 0.440559 0.983871
40 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.438849 0.681818
41 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.437909 0.788732
42 ALA GLN THR ALA ARG ALY SER THR 0.433824 0.83871
43 ALA ARG THR ALY GLN THR ALA 0.429688 0.852459
44 ALA ARG THR MLY GLN THR ALA 0.426357 0.967213
45 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.426357 0.967213
46 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.426087 0.741935
47 THR ARG ARG GLU THR GLN LEU 0.425197 0.822581
48 THR M3L GLN 0.424779 0.868852
49 GLU ALA THR GLN LEU MET ASN 0.423077 0.698413
50 ACE GLN THR ALA ARG KCR SER THR 0.422535 0.809524
51 MET ABA LEU ARG MET THR ALA VAL MET 0.42029 0.8125
52 LYS LEU VAL GLN LEU LEU THR THR THR 0.416 0.709677
53 LYS THR LYS LEU LEU 0.413793 0.677419
54 ALA ARG THR MLY GLN 0.412698 0.935484
55 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.412214 0.885246
56 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.412162 0.666667
57 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.411765 0.60274
58 MET CYS LEU ARG MET THR ALA VAL MET 0.411348 0.84127
59 SER ARG LYS ILE ASP ASN LEU ASP 0.411348 0.772727
60 THR PHE GLN ALA PSA LEU ARG GLU 0.410256 0.75
61 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.410256 0.630137
62 LYS PRO VAL LEU ARG THR ALA 0.409722 0.746479
63 ASN ARG LEU ILE LEU THR GLY 0.409449 0.698413
64 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.407692 0.709677
65 LEU GLU LYS ALA ARG GLY SER THR TYR 0.407643 0.742857
66 ALA ARG THR MLY GLN THR ALA ARG TYR 0.406897 0.867647
67 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.404494 0.813333
68 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.403846 0.643836
69 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.402516 0.671233
70 ARG ARG ALA ALA 0.401786 0.677419
71 ASP LEU THR ARG PRO 0.4 0.760563
72 MET CYS LEU ARG NLE THR ALA VAL MET 0.4 0.828125
Similar Binding Sites (Proteins are less than 50% similar to leader)
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