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 ~ 45.8 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 232 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 ~ 45.8 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 (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 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 ~ 45.8 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 6D7M - SIN C4 H6 O4 C(CC(=O)O)....
9 3OQS - VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 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 ~ 45.8 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 6D7M - SIN C4 H6 O4 C(CC(=O)O)....
11 3OQS - VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY LYS ILE SER LYS HIS TRP THR GLY ILE; Similar ligands found: 82
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY LYS ILE SER LYS HIS TRP THR GLY ILE 1 1
2 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.544872 0.768116
3 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.540881 0.757143
4 MET LEU ILE TYR SER MET TRP GLY LYS 0.534483 0.842857
5 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.526946 0.880597
6 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.511236 0.893939
7 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.505747 0.838235
8 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.50289 0.867647
9 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.496933 0.84375
10 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.494253 0.869565
11 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.494048 0.920635
12 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.49359 0.753623
13 ACE TRP HIS THR ALA NH2 NH2 0.493151 0.777778
14 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.484472 0.779412
15 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.480874 0.791667
16 ILE ASP TRP PHE ASP GLY LYS ASP 0.472727 0.857143
17 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 0.47093 0.936508
18 ASP SER TRP LYS ASP GLY CYS TYR 0.470588 0.833333
19 SER SER VAL ILE GLY VAL TRP TYR LEU 0.470238 0.833333
20 SER ARG TYR TRP ALA ILE ARG THR ARG 0.460227 0.828571
21 PHE SER GLN HIS LYS THR SER TPO ILE 0.460227 0.842857
22 ASP ASN TRP GLN ASN GLY THR SER 0.460123 0.887097
23 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.459627 0.823529
24 ILE ASP TRP PHE ASP GLY LYS GLU 0.458824 0.857143
25 ILE ASP TRP PHE GLU GLY LYS GLU 0.458824 0.857143
26 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.452514 0.830986
27 SER LEU LEU MET TRP ILE THR GLN SER 0.452381 0.835821
28 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.451807 0.852941
29 SER LEU LEU MET TRP ILE THR GLN LEU 0.446429 0.835821
30 GLU LEU ASP HIS TRP ALA SER 0.445783 0.873016
31 SER LEU LEU MET TRP ILE THR GLN CYS 0.444444 0.835821
32 VAL ASP SER LYS ASN THR SER SER TRP 0.443114 0.904762
33 SER SER VAL VAL GLY VAL TRP TYR LEU 0.443114 0.818182
34 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.443114 0.904762
35 SER LEU LEU MET TRP ILE THR GLN ALA 0.441176 0.835821
36 MET HIS PRO ALA GLN THR SER GLN TRP 0.439153 0.847222
37 GLY LEU MET TRP LEU SER TYR PHE VAL 0.438596 0.785714
38 ASP TRP GLU ILE VAL 0.437909 0.746032
39 GLU ASN ASP LYS TRP ALA SER 0.436364 0.887097
40 GLU LEU GLU LYS TRP ALA SER 0.435583 0.857143
41 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.435 0.776316
42 SER HIS LYS ILE ASP ASN LEU ASP 0.433735 0.904762
43 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.432749 0.888889
44 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.431694 0.884058
45 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.430303 0.776119
46 ALA SER ASN GLU ASN TRP GLU THR MET 0.430303 0.848485
47 VAL GLY LEU TRP LYS SER 0.428571 0.753846
48 GLU ALA ASP LYS TRP GLN SER 0.427711 0.870968
49 GLU LEU ASP LYS TRP ALA SER 0.427711 0.873016
50 GLU GLN ASP LYS TRP ALA SER 0.42515 0.870968
51 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.424581 0.867647
52 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.424419 0.794118
53 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.423913 0.848485
54 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.422857 0.904762
55 LYS TRP LYS 0.422535 0.758065
56 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.422222 0.814286
57 MET ASP TRP ASN MET HIS ALA ALA 0.421053 0.80303
58 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.420513 0.826667
59 LYS GLN TRP LEU VAL TRP LEU PHE LEU 0.418605 0.796875
60 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.417526 0.808219
61 ALA LEU ASP LYS TRP ALA SER 0.417178 0.873016
62 SER LEU LEU MET TRP ILE THR GLN VAL 0.417143 0.820895
63 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.41573 0.764706
64 ALA GLY HIS THR TRP GLY HIA SIA 0.414894 0.805556
65 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.414773 0.904762
66 ALA LEU ASP LYS TRP ASP 0.414013 0.825397
67 PRO GLY LEU TRP LYS SER 0.413174 0.825397
68 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.412903 0.761905
69 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.412429 0.779412
70 ARG LEU TRP SER 0.410256 0.764706
71 GLU LEU ASP LYS TRP ALA GLY 0.409639 0.796875
72 GLU LEU ASP LYS TRP ALA ASN 0.408284 0.857143
73 MET ASN TRP ASN ILE 0.408163 0.790323
74 PLM GLN THR ALA ARG LYS SER THR GLY GLY TRP 0.407407 0.869565
75 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.40678 0.742857
76 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.406091 0.813333
77 LYS SER HIS GLN GLU 0.405229 0.83871
78 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.405 0.805195
79 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.401961 0.794872
80 GLU LYS VAL HIS VAL GLN 0.401274 0.777778
81 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.401042 0.811594
82 ASP GLU ASP LYS TRP ASP ASP PHE 0.4 0.777778
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY LYS ILE SER LYS HIS TRP THR GLY ILE; 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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