Receptor
PDB id Resolution Class Description Source Keywords
5IQL 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF YEATS2 YEATS BOUND TO H3K27CR PEPTIDE HOMO SAPIENS BETA SANDWICH PROTEIN BINDING
Ref.: YEATS2 IS A SELECTIVE HISTONE CROTONYLATION READER. CELL RES. V. 26 629 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ALA ARG KCR SER ALA PRO ALA B:24;
Valid;
none;
Kd = 31.7 uM
837.957 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IQL 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF YEATS2 YEATS BOUND TO H3K27CR PEPTIDE HOMO SAPIENS BETA SANDWICH PROTEIN BINDING
Ref.: YEATS2 IS A SELECTIVE HISTONE CROTONYLATION READER. CELL RES. V. 26 629 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5IQL Kd = 31.7 uM ALA ALA ARG KCR SER ALA PRO ALA 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 1068 families.
1 5IQL Kd = 31.7 uM ALA ALA ARG KCR SER ALA PRO ALA 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 922 families.
1 5IQL Kd = 31.7 uM ALA ALA ARG KCR SER ALA PRO ALA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA ALA ARG KCR SER ALA PRO ALA; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ALA ARG KCR SER ALA PRO ALA 1 1
2 ALA ARG MLZ SER ALA PRO ALA THR 0.650794 0.925373
3 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.544828 0.924242
4 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.538462 0.884058
5 SER ALA PRO ASP THR ARG PRO ALA 0.485915 0.925373
6 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.478873 0.826087
7 SER PRO LYS ARG ILE ALA 0.478261 0.923077
8 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.472222 0.882353
9 ALA MET ALA PRO ARG THR LEU LEU LEU 0.465753 0.871429
10 THR PRO ARG ARG SER MLZ SER ALA 0.457143 0.884058
11 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.45625 0.84507
12 5JP PRO LYS ARG ILE ALA 0.454545 0.895522
13 ARG ARG ALA SEP ALA PRO LEU PRO 0.453333 0.808219
14 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.45283 0.885714
15 ARG PRO LYS ARG ILE ALA 0.45 0.848485
16 LYS PRO VAL LEU ARG THR ALA 0.448276 0.909091
17 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.447552 0.895522
18 ARG ARG ARG GLU ARG SER PRO THR ARG 0.445205 0.909091
19 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.444444 0.869565
20 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.44 0.802817
21 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.432432 0.893939
22 CYS THR PRO SER ARG 0.430657 0.893939
23 GLU ARG THR ILE PRO ILE THR ARG GLU 0.428571 0.882353
24 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.427673 0.897059
25 TYR PRO LYS ARG ILE ALA 0.427632 0.802817
26 VAL ALA ARG SER 0.42735 0.703125
27 GLN ALA SER TPO PRO ARG NIT 0.424242 0.722892
28 LYS ARG ARG ARG HIS PRO SER GLY 0.423841 0.84058
29 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.423313 0.810811
30 LYS ARG ARG ARG HIS PRO SER 0.422819 0.823529
31 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.420382 0.810811
32 ARG VAL ALA SER PRO THR SER GLY VAL 0.42 0.895522
33 SER ARG ASP HIS SER ARG THR PRO MET 0.419162 0.813333
34 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.41875 0.884058
35 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.418301 0.880597
36 ARG GLU ARG SER PRO THR ARG 0.416667 0.921875
37 ALA ARG SER HIS SEP TYR PRO ALA 0.416667 0.759494
38 HIS HIS ALA SER PRO ARG LYS 0.415094 0.852941
39 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.414365 0.772152
40 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.41358 0.8
41 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.412121 0.897059
42 ASN ARG PRO ILE LEU SER LEU 0.409396 0.869565
43 ARG SER ALA SEP GLU PRO SER LEU 0.40625 0.835616
44 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.404494 0.730769
45 ARG VAL ALA SEP PRO THR SER GLY VAL 0.4 0.821918
Similar Binding Sites (Proteins are less than 50% similar to leader)
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