Receptor
PDB id Resolution Class Description Source Keywords
4HCZ 1.85 Å NON-ENZYME: OTHER PHF1 TUDOR IN COMPLEX WITH H3K36ME3 HOMO SAPIENS PROTEIN-PEPTIDE COMPLEX TUDOR HISTONE BINDING H3K36ME3 NNUCLEUS TRANSCRIPTION
Ref.: MOLECULAR BASIS FOR H3K36ME3 RECOGNITION BY THE TUD OF PHF1. NAT.STRUCT.MOL.BIOL. V. 19 1266 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER THR GLY GLY VAL M3L LYS PRO HIS ARG C:31;
D:34;
Valid;
Valid;
none;
none;
Kd = 36 uM
1096.35 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HCZ 1.85 Å NON-ENZYME: OTHER PHF1 TUDOR IN COMPLEX WITH H3K36ME3 HOMO SAPIENS PROTEIN-PEPTIDE COMPLEX TUDOR HISTONE BINDING H3K36ME3 NNUCLEUS TRANSCRIPTION
Ref.: MOLECULAR BASIS FOR H3K36ME3 RECOGNITION BY THE TUD OF PHF1. NAT.STRUCT.MOL.BIOL. V. 19 1266 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4HCZ Kd = 36 uM SER THR GLY GLY VAL M3L LYS PRO HIS ARG n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4HCZ Kd = 36 uM SER THR GLY GLY VAL M3L LYS PRO HIS ARG n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4HCZ Kd = 36 uM SER THR GLY GLY VAL M3L LYS PRO HIS ARG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SER THR GLY GLY VAL M3L LYS PRO HIS ARG; Similar ligands found: 65
No: Ligand ECFP6 Tc MDL keys Tc
1 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 1 1
2 HIS HIS ALA SER PRO ARG LYS 0.55814 0.815789
3 LYS VAL ALA PRO PRO ILE PRO HIS ARG 0.532967 0.815789
4 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.530726 0.74026
5 SER HIS PRO ARG PRO ILE ARG VAL 0.52 0.87013
6 LYS ARG ARG ARG HIS PRO SER 0.514793 0.813333
7 LYS ARG ARG ARG HIS PRO SER GLY 0.511628 0.853333
8 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.508021 0.7375
9 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 0.483146 0.746667
10 SER SER TYR ARG ARG PRO VAL GLY ILE 0.480874 0.848101
11 SER ARG ASP HIS SER ARG THR PRO MET 0.471204 0.922078
12 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.461538 0.794872
13 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.451777 0.881579
14 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.450237 0.783133
15 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.446809 0.792208
16 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.444444 0.74359
17 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.442708 0.822785
18 ALA ARG SER HIS SEP TYR PRO ALA 0.441026 0.797619
19 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.439024 0.7875
20 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.437811 0.8625
21 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.437158 0.813333
22 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.436548 0.935065
23 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.433673 0.728395
24 GLY HIS ARG PRO 0.432927 0.763158
25 LYS PRO VAL LEU ARG THR ALA 0.432584 0.815789
26 ARG ARG ARG GLU ARG SER PRO THR ARG 0.432584 0.815789
27 ALA ASN SER ARG HIS PRO THR SER ILE ILE 0.432432 0.87013
28 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.432432 0.883117
29 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.429379 0.706667
30 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.429268 0.7375
31 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.427083 0.818182
32 SER ALA PRO ASP THR ARG PRO ALA 0.426966 0.855263
33 ARG VAL ALA SER PRO THR SER GLY VAL 0.426966 0.828947
34 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.425121 0.8625
35 SER THR SEP PRO THR PHE ASN LYS 0.42487 0.753086
36 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.424581 0.802632
37 SER PRO LYS ARG ILE ALA 0.423529 0.766234
38 LEU PRO LYS MYK THR GLY GLY 0.421622 0.776316
39 LEU SER SER PRO VAL THR LYS SER PHE 0.421622 0.776316
40 TYR PRO LYS ARG ILE ALA 0.420765 0.75
41 GLU ARG THR ILE PRO ILE THR ARG GLU 0.417143 0.815789
42 ARG LEU TYR HIS SEP LEU PRO ALA 0.417085 0.809524
43 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.415301 0.802469
44 ARG PRO PRO LYS PRO ARG PRO ARG 0.415205 0.706667
45 SER HIS SEP SER PRO ALA SER LEU GLN 0.413265 0.8125
46 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.411458 0.705128
47 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.410405 0.733333
48 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.409302 0.875
49 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.409091 0.881579
50 LYS PRO HIS SER ASP 0.408046 0.776316
51 ARG PRO MET THR TYR LYS GLY ALA LEU 0.407767 0.8625
52 GLY HIS ARG PRO NH2 0.407186 0.76
53 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.406417 0.765432
54 5JP PRO LYS ARG ILE ALA 0.405714 0.792208
55 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.405128 0.766234
56 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.404545 0.817073
57 ALA ARG LYS SEP THR GLY GLY LYS 0.404494 0.675
58 ARG PRO MET THR PHE LYS GLY ALA LEU 0.402913 0.871795
59 ARG VAL ALA SEP PRO THR SER GLY VAL 0.402116 0.790123
60 ARG PRO LYS PRO LEU VAL ASP PRO 0.401163 0.773333
61 ARG PRO LYS ARG ILE ALA 0.40113 0.74026
62 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.401042 0.717949
63 ARG THR PHE SER PRO THR TYR GLY LEU 0.401015 0.814815
64 ARG SEP PRO VAL PHE SER 0.4 0.765432
65 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.4 0.727273
Similar Ligands (3D)
Ligand no: 1; Ligand: SER THR GLY GLY VAL M3L LYS PRO HIS ARG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback