Receptor
PDB id Resolution Class Description Source Keywords
1Y2A 2.2 Å NON-ENZYME: TRANSPORT STRUCTURE OF MAMMALIAN IMPORTIN BOUND TO THE NON-CLASSICAL PLSCR1-NLS MUS MUSCULUS ARMADILLO REPEAT; PROTEIN:PEPTIDE COMPLEX; SUPERHELIX OF HELICES PROTEIN TRANSPORT
Ref.: PHOSPHOLIPID SCRAMBLASE 1 CONTAINS A NONCLASSICAL NUCLEAR LOCALIZATION SIGNAL WITH UNIQUE BINDING SITE IN IMPORTIN ALPHA J.BIOL.CHEM. V. 280 10599 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY LYS ILE SER LYS HIS TRP THR GLY ILE P:1;
Valid;
none;
Kd ~ 45 nM
1128.34 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Y2A 2.2 Å NON-ENZYME: TRANSPORT STRUCTURE OF MAMMALIAN IMPORTIN BOUND TO THE NON-CLASSICAL PLSCR1-NLS MUS MUSCULUS ARMADILLO REPEAT; PROTEIN:PEPTIDE COMPLEX; SUPERHELIX OF HELICES PROTEIN TRANSPORT
Ref.: PHOSPHOLIPID SCRAMBLASE 1 CONTAINS A NONCLASSICAL NUCLEAR LOCALIZATION SIGNAL WITH UNIQUE BINDING SITE IN IMPORTIN ALPHA J.BIOL.CHEM. V. 280 10599 2005
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 4U54 Kd = 8.7 mM 3C5 C13 H14 N2 CNCc1cccc(....
2 4U5U Kd = 1.3 mM 3D2 C18 H24 N4 O c1cc(cc(c1....
3 4U5V Kd = 0.9 mM RH2 C16 H22 N4 O S c1cc(cnc1)....
4 4U5N Kd = 3.3 mM 3D4 C33 H45 N7 O5 C[C@H]([C@....
5 4U5O Kd = 3.8 mM 3D5 C18 H24 N4 O c1cc(cnc1)....
6 1Y2A Kd ~ 45 nM GLY LYS ILE SER LYS HIS TRP THR GLY ILE n/a n/a
7 4U5S Kd = 3.9 mM 3D0 C30 H45 N7 O6 C[C@@H]([C....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 4U54 Kd = 8.7 mM 3C5 C13 H14 N2 CNCc1cccc(....
2 4U5U Kd = 1.3 mM 3D2 C18 H24 N4 O c1cc(cc(c1....
3 4U5V Kd = 0.9 mM RH2 C16 H22 N4 O S c1cc(cnc1)....
4 4U5N Kd = 3.3 mM 3D4 C33 H45 N7 O5 C[C@H]([C@....
5 4U5O Kd = 3.8 mM 3D5 C18 H24 N4 O c1cc(cnc1)....
6 1Y2A Kd ~ 45 nM GLY LYS ILE SER LYS HIS TRP THR GLY ILE n/a n/a
7 4U5S Kd = 3.9 mM 3D0 C30 H45 N7 O6 C[C@@H]([C....
8 3OQS - VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN n/a n/a
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 4RXH Kd = 1.23 uM PRO PRO LYS LYS LYS ARG LYS VAL n/a n/a
2 1EE4 - PRO ALA ALA LYS ARG VAL LYS LEU ASP n/a n/a
3 4U54 Kd = 8.7 mM 3C5 C13 H14 N2 CNCc1cccc(....
4 4U5U Kd = 1.3 mM 3D2 C18 H24 N4 O c1cc(cc(c1....
5 4U5V Kd = 0.9 mM RH2 C16 H22 N4 O S c1cc(cnc1)....
6 4U5N Kd = 3.3 mM 3D4 C33 H45 N7 O5 C[C@H]([C@....
7 4U5O Kd = 3.8 mM 3D5 C18 H24 N4 O c1cc(cnc1)....
8 1Y2A Kd ~ 45 nM GLY LYS ILE SER LYS HIS TRP THR GLY ILE n/a n/a
9 4U5S Kd = 3.9 mM 3D0 C30 H45 N7 O6 C[C@@H]([C....
10 3OQS - VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY LYS ILE SER LYS HIS TRP THR GLY ILE; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 1 1
2 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.558442 0.850746
3 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.54375 0.880597
4 MET LEU ILE TYR SER MET TRP GLY LYS 0.529762 0.84058
5 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.523256 0.878788
6 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.520958 0.852941
7 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.52 0.753623
8 ACE TRP HIS THR ALA NH2 NH2 0.510638 0.774194
9 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.509202 0.904762
10 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.503145 0.84127
11 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.5 0.823529
12 SER SER VAL ILE GLY VAL TRP TYR LEU 0.493827 0.830769
13 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.493333 0.73913
14 ASP ASN TRP GLN ASN GLY THR SER 0.487179 0.870968
15 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.48503 0.920635
16 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.483871 0.764706
17 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.477273 0.777778
18 SER ARG TYR TRP ALA ILE ARG THR ARG 0.473373 0.814286
19 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.47093 0.742857
20 PHE SER GLN HIS LYS THR SER TPO ILE 0.467836 0.828571
21 ASP TRP GLU ILE VAL 0.465753 0.741935
22 SER LEU LEU MET TRP ILE THR GLN VAL 0.463415 0.820895
23 ILE ASP TRP PHE ASP GLY LYS ASP 0.4625 0.854839
24 SER LEU LEU MET TRP ILE THR GLN SER 0.460123 0.820895
25 SER SER VAL VAL GLY VAL TRP TYR LEU 0.459627 0.815385
26 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.458065 0.808824
27 SER LEU LEU MET TRP ILE THR GLN LEU 0.45679 0.820895
28 VAL ASP SER LYS ASN THR SER SER TRP 0.455696 0.888889
29 SER LEU LEU MET TRP ILE THR GLN CYS 0.451807 0.820895
30 SER HIS LYS ILE ASP ASN LEU ASP 0.45 0.888889
31 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.449438 0.869565
32 GLY LEU MET TRP LEU SER TYR PHE VAL 0.449102 0.782609
33 SER LEU LEU MET TRP ILE THR GLN ALA 0.448485 0.820895
34 ILE ASP TRP PHE ASP GLY LYS GLU 0.448485 0.854839
35 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.447853 0.887097
36 ALA SER ASN GLU ASN TRP GLU THR MET 0.446541 0.833333
37 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.44382 0.786667
38 MET HIS PRO ALA GLN THR SER GLN TRP 0.442623 0.833333
39 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.440476 0.823529
40 ILE ASP TRP PHE GLU GLY LYS GLU 0.439759 0.854839
41 GLU LEU ASP HIS TRP ALA SER 0.438272 0.870968
42 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.434783 0.757576
43 GLN THR ALA ARG MYK SER THR GLY GLY TRP 0.434066 0.855072
44 PLM GLN THR ALA ARG LYS SER THR GLY GLY TRP 0.434066 0.855072
45 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.433526 0.8
46 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.432749 0.811594
47 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.431138 0.779412
48 MET ASN TRP ASN ILE 0.429577 0.774194
49 ALA GLY HIS THR TRP GLY HIA SIA 0.428571 0.791667
50 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.427083 0.763158
51 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.423077 0.7
52 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.421875 0.792208
53 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.421053 0.764706
54 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.418605 0.75
55 MET ASP TRP ASN MET HIS ALA ALA 0.418182 0.787879
56 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.414894 0.689189
57 SER PRO LEU ASP SER LEU TRP TRP ILE 0.412791 0.84058
58 LYS SER HIS GLN GLU 0.412162 0.822581
59 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.411168 0.782051
60 ASP SER TRP LYS ASP GLY CYS TYR 0.411043 0.787879
61 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.410714 0.823529
62 ALA LEU ASP LYS TRP ALA SER 0.410256 0.870968
63 THR SER THR THR SER VAL ALA SER SER TRP 0.409091 0.806452
64 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.408602 0.797101
65 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.407186 0.887097
66 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.406977 0.728571
67 ARG LEU TRP SER 0.406667 0.75
68 ALA LEU ASP LYS TRP ASP 0.406667 0.806452
69 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.40625 0.720588
70 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.405263 0.72
71 GLU LEU GLU LYS TRP ALA SER 0.405063 0.854839
72 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.405 0.782051
73 LYS GLY GLY ALA ALY ARG HIS ARG 0.404908 0.724638
74 LYS TRP LYS 0.404412 0.737705
75 GLU ASN ASP LYS TRP ALA SER 0.403727 0.870968
76 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.403409 0.794118
77 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.402597 0.794118
78 GLY ALA ARG ALA HIS SER SER 0.401316 0.779412
79 GLU ALA ASP LYS TRP GLN SER 0.401235 0.854839
80 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.401163 0.825397
81 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.4 0.888889
Similar Binding Sites (Proteins are less than 50% similar to leader)
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