Receptor
PDB id Resolution Class Description Source Keywords
3p4f 2.35 Å EC: 2.1.1.43 STRUCTURAL AND BIOCHEMICAL INSIGHTS INTO MLL1 CORE COMPLEX A AND REGULATION. HOMO SAPIENS BETA-PROPELLER SCAFFOLD MLL1 RBBP5 TRANSCRIPTION
Ref.: STRUCTURAL AND BIOCHEMICAL INSIGHTS INTO MLL1 CORE ASSEMBLY. STRUCTURE V. 19 101 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU C:3762;
 Valid;
 none;
 submit data
798.9 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3P4F 2.35 Å EC: 2.1.1.43 STRUCTURAL AND BIOCHEMICAL INSIGHTS INTO MLL1 CORE COMPLEX A AND REGULATION. HOMO SAPIENS BETA-PROPELLER SCAFFOLD MLL1 RBBP5 TRANSCRIPTION
Ref.: STRUCTURAL AND BIOCHEMICAL INSIGHTS INTO MLL1 CORE ASSEMBLY. STRUCTURE V. 19 101 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 37 families.
1 3P4F - HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 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 26 families.
1 3P4F - HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 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 21 families.
1 3P4F - HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU; Similar ligands found: 36
No: Ligand ECFP6 Tc MDL keys Tc
1 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 1 1
2 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.556522 0.88
3 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.551181 0.803571
4 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.53 0.803922
5 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.5 0.846154
6 ACE GLU ALA GLN THR ARG LEU 0.495575 0.882353
7 ASP ALA GLU PHE ARG HIS ASP 0.491379 0.877551
8 ACE ALA ARG THR GLU VAL TYR NH2 0.487395 0.785714
9 ARG GLU ALA ALA 0.484536 0.955556
10 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.480392 0.87234
11 ALA ALA LEU THR ARG ALA 0.476636 0.823529
12 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.468085 0.933333
13 ALA GLU ALA ALA GLN ALA 0.463918 0.755556
14 ARG ARG ARG GLU THR GLN VAL 0.449541 0.846154
15 ARG ARG ALA ALA 0.443299 0.913043
16 GLU ALA GLN THR ARG LEU 0.440678 0.862745
17 LYS ALA ALA ARG M3L SER ALA 0.432203 0.693548
18 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.432 0.725806
19 ALA GLN THR ALA ARG ALY SER THR 0.430894 0.781818
20 VAL ALA ARG SER 0.43 0.895833
21 ALA ARG THR M3L GLN THR ALA ARG LYS 0.429825 0.693548
22 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.428571 0.830189
23 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.428571 0.897959
24 THR ARG SER GLY ALY VAL MET ARG ARG LEU 0.418033 0.796296
25 ACE GLN THR ALA ARG BTK SER THR 0.418033 0.781818
26 ALA ARG THR ALY GLN THR ALA 0.413793 0.796296
27 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.413793 0.709677
28 ILE GLN GLN SER ILE GLU ARG ILE 0.411765 0.811321
29 ACE GLN THR ALA ARG PRK SER THR 0.41129 0.781818
30 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.40678 0.733333
31 PTR LEU ARG VAL ALA 0.406504 0.704918
32 SER GLU ILE GLU PHE ALA ARG LEU 0.406015 0.8
33 THR ARG ARG GLU THR GLN LEU 0.405172 0.830189
34 ALA ARG THR M3L GLN THR ALA ARG 0.404959 0.725806
35 ACE ALA ARG THR LYS GLN 0.401786 0.788462
36 ALA ARG THR LYS GLN THR ALA ARG LYS 0.401639 0.792453
Similar Ligands (3D)
Ligand no: 1; Ligand: HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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