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 (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5IQL Kd = 31.7 uM ALA ALA ARG KCR SER ALA PRO ALA n/a n/a
2 6LSD - ACE ALA ALA ARG LBZ SER ALA PRO ALA 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 1331 families.
1 5IQL Kd = 31.7 uM ALA ALA ARG KCR SER ALA PRO ALA n/a n/a
2 6LSD - ACE ALA ALA ARG LBZ SER ALA PRO ALA 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 1144 families.
1 5IQL Kd = 31.7 uM ALA ALA ARG KCR SER ALA PRO ALA n/a n/a
2 6LSD - ACE ALA ALA ARG LBZ SER ALA PRO ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA ALA ARG KCR SER ALA PRO ALA; Similar ligands found: 55
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 0.607407 0.898551
3 ACE ALA ALA ARG LBZ SER ALA PRO ALA 0.58042 0.953846
4 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.544828 0.884058
5 SER ALA PRO ASP THR ARG PRO ALA 0.503497 0.925373
6 SER PRO LYS ARG ILE ALA 0.481752 0.9375
7 THR PRO ARG ARG SER MLZ SER ALA 0.478261 0.884058
8 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.47619 0.850746
9 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.475862 0.826087
10 5JP PRO LYS ARG ILE ALA 0.468085 0.909091
11 ALA MET ALA PRO ARG THR LEU LEU LEU 0.466216 0.871429
12 ARG ARG ALA SEP ALA PRO LEU PRO 0.463576 0.808219
13 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.462963 0.84507
14 ALA THR ALY ALA ALA ARG ALY SER ALA PRO 0.462585 0.924242
15 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.460526 0.838235
16 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.459627 0.885714
17 ARG VAL ALA SER PRO THR SER GLY VAL 0.452703 0.895522
18 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.452703 0.882353
19 ARG PRO LYS ARG ILE ALA 0.451389 0.848485
20 LYS PRO VAL LEU ARG THR ALA 0.449664 0.909091
21 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.447368 0.810811
22 ACE SER LEU ARG PRO ALA PRO LPD 0.441379 0.910448
23 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.440994 0.897059
24 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.437909 0.816901
25 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.4375 0.884058
26 ACE GLY LYS SER PHE SER LYS PRO ARG 0.437086 0.823529
27 MET CYS PRO ARG MET THR ALA VAL MET 0.433962 0.84507
28 ARG SER ALA SEP GLU PRO SER LEU 0.433962 0.835616
29 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.430464 0.893939
30 ARG SER LEU SEP ALA PRO GLY ASN 0.430464 0.821918
31 ARG VAL ALA SEP PRO THR SER GLY VAL 0.43038 0.821918
32 GLN ALA SER TPO PRO ARG NIT 0.427711 0.722892
33 VAL ALA ARG SER 0.425 0.703125
34 THR PRO THR ARG ASP VAL ALA THR SER PRO 0.424837 0.897059
35 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.423313 0.810811
36 ASN ARG PRO ILE LEU SER LEU 0.422819 0.869565
37 GLU ARG THR ILE PRO ILE THR ARG GLU 0.421769 0.880597
38 ARG ARG ARG GLU ARG SER PRO THR ARG 0.421053 0.909091
39 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.420732 0.8
40 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.41989 0.815789
41 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.418478 0.772152
42 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.417266 0.869565
43 TYR PRO LYS ARG ILE ALA 0.416667 0.802817
44 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.416667 0.897059
45 SER ARG ASP HIS SER ARG THR PRO MET 0.415205 0.813333
46 ARG GLU ARG SER PRO THR ARG 0.414815 0.921875
47 HIS HIS ALA SER PRO ARG LYS 0.41358 0.852941
48 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.412088 0.826667
49 LYS ARG ARG ARG HIS PRO SER 0.409091 0.823529
50 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.40884 0.730769
51 LYS ARG ARG ARG HIS PRO SER GLY 0.407643 0.84058
52 ALA ARG SER HIS SEP TYR PRO ALA 0.406977 0.759494
53 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.403727 0.847222
54 VAL MET ALA PRO ARG THR LEU PHE LEU 0.402367 0.847222
55 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.4 0.7625
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ALA ARG KCR SER ALA PRO ALA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback