Receptor
PDB id Resolution Class Description Source Keywords
3LQI 1.92 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MLL1 PHD3-BROMO COMPLEXED WITH H3(1-9)K PEPTIDE HOMO SAPIENS PHD FINGER BROMODOMAIN MLL1 LEUKEMIA H3(1-9)K4ME2 CHROMPROTEIN DNA-BINDING NUCLEOSOME CORE NUCLEUS TRANSFERASE
Ref.: PRO ISOMERIZATION IN MLL1 PHD3-BROMO CASSETTE CONNE H3K4ME READOUT TO CYP33 AND HDAC-MEDIATED REPRESSIO CELL(CAMBRIDGE,MASS.) V. 141 1183 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA ARG THR MLY GLN THR ALA ARG LYS R:1;
S:1;
T:1;
 Valid;
Valid;
Valid;
 none;
none;
none;
 Kd = 6.9 uM
718.878 n/a O=C(N...
ZN A:1;
A:2;
B:3;
B:4;
C:5;
C:6;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LQJ 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MLL1 PHD3-BROMO COMPLEXED WITH H3(1-9)K PEPTIDE HOMO SAPIENS PHD FINGER BROMODOMAIN MLL1 LEUKEMIA H3(1-9)K4ME3 CHROMPROTEIN DNA-BINDING NUCLEOSOME CORE NUCLEUS TRANSFERASE
Ref.: PRO ISOMERIZATION IN MLL1 PHD3-BROMO CASSETTE CONNE H3K4ME READOUT TO CYP33 AND HDAC-MEDIATED REPRESSIO CELL(CAMBRIDGE,MASS.) V. 141 1183 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3LQJ Kd = 4.3 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
2 3LQI Kd = 6.9 uM ALA ARG THR MLY GLN THR ALA ARG LYS 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 3LQJ Kd = 4.3 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
2 3LQI Kd = 6.9 uM ALA ARG THR MLY GLN THR ALA ARG LYS 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 3LQJ Kd = 4.3 uM ALA ARG THR M3L GLN THR ALA ARG LYS n/a n/a
2 3LQI Kd = 6.9 uM ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA ARG THR MLY GLN THR ALA ARG LYS; Similar ligands found: 63
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA ARG THR MLY GLN THR ALA ARG LYS 1 1
2 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.855556 0.983051
3 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.804348 0.95082
4 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.787234 0.931035
5 ALA ARG THR MLY GLN 0.76087 0.983051
6 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.752688 1
7 ALA ARG THR ALY GLN THR ALA 0.683673 0.864407
8 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.683673 0.95082
9 ALA ARG THR M3L GLN THR ALA ARG LYS 0.623762 0.934426
10 ALA ARG THR LYS GLN THR ALA ARG LYS 0.622642 0.830508
11 ARG ARG ARG GLU THR GLN VAL 0.622449 0.816667
12 ALA 2MR THR MLY GLN THR ALA ALA 0.618182 0.966667
13 ALA ARG THR LYS GLN THR ALA ARG 0.616162 0.844828
14 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.6 0.915254
15 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.591837 0.79661
16 ALA ARG THR M3L GLN THR ALA ARG 0.583333 0.935484
17 ALA GLN THR ALA ARG ALY SER THR 0.566372 0.85
18 ALA ARG THR MLY GLN THR ALA ARG TYR 0.558333 0.878788
19 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.551724 0.935484
20 ALA ARG 9AT 0.54023 0.793103
21 THR ARG ARG GLU THR GLN LEU 0.53271 0.833333
22 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.526786 0.833333
23 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.524752 0.779661
24 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.512 0.935484
25 ALA ALA LEU THR ARG ALA 0.5 0.827586
26 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.496241 0.95082
27 ALA ARG MLY SER THR GLY GLY ALY 0.491935 0.935484
28 ACE GLN THR ALA ARG PRK SER THR 0.491525 0.819672
29 GLU ALA GLN THR ARG LEU 0.486957 0.830508
30 ALA MET ARG VAL 0.484848 0.762712
31 ALA ARG M3L SER 0.470588 0.870968
32 ACE GLU ALA GLN THR ARG LEU 0.465517 0.847458
33 ACE GLN THR ALA ARG KCR SER THR 0.463415 0.833333
34 GLN THR ALA ARG M3L SER 0.458333 0.935484
35 SAC ARG GLY THR GLN THR GLU 0.457627 0.774194
36 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.452991 0.852459
37 ACE GLN THR ALA ARG BTK SER THR 0.45 0.85
38 ALA ARG THR GLU LEU TYR ARG SER LEU 0.446154 0.746269
39 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.445378 0.816667
40 THR ILE MET MET GLN ARG GLY 0.444444 0.83871
41 GLU THR VAL ARG PHE GLN SER ASP 0.439394 0.761905
42 ACE ALA ARG THR LYS GLN 0.436364 0.827586
43 GLN THR ALA ARG M3L SER THR GLY 0.433071 0.935484
44 ALA ILE ARG SER 0.432692 0.733333
45 ALA THR ARG ASN PHE SER GLY 0.424 0.723077
46 GLN ARG ALA THR LYS MET NH2 0.422764 0.898305
47 ILE GLN GLN SER ILE GLU ARG ILE 0.420168 0.786885
48 LYS GLN THR SER VAL 0.42 0.655738
49 ALA ARG LYS SEP THR GLY GLY LYS 0.415385 0.746269
50 ARG GLU ARG SER PRO THR ARG 0.413793 0.710145
51 GLN ARG SER THR SEP THR 0.413223 0.716418
52 GLU ARG THR ILE PRO ILE THR ARG GLU 0.410853 0.753623
53 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.410596 0.712329
54 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.410072 0.797101
55 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.408451 0.685714
56 ALA ARG LYS ILE ASP ASN LEU ASP 0.40625 0.761905
57 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.405405 0.684932
58 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.405405 0.648649
59 ARG ARG ALA THR LYS MET NH2 0.404959 0.866667
60 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.40404 0.694915
61 ALA ARG TPO LYS 0.401786 0.712121
62 LYS GLN THR ALA ARG M3L SER THR GLY 0.401639 0.935484
63 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.401361 0.767123
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA ARG THR MLY GLN THR ALA ARG LYS; 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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