Receptor
PDB id Resolution Class Description Source Keywords
3OQS 2 Å EC: 1.11.1.7 CRYSTAL STRUCTURE OF IMPORTIN-ALPHA BOUND TO A CLIC4 NLS PEP HOMO SAPIENS IMPORTIN ALPHA KARYOPHERIN ALPHA NUCLEAR LOCALISATION SIGNRECOGNITION CHLORIDE INTRACELLULAR CHANNEL 4 CLIC4 NLS AREPEAT NUCLEAR IMPORT PROTEIN TRANSPORT
Ref.: CRYSTAL STRUCTURE OF IMPORTIN-ALPHA BOUND TO A PEPT BEARING THE NUCLEAR LOCALISATION SIGNAL FROM CHLORI INTRACELLULAR CHANNEL PROTEIN 4 FEBS J. V. 278 1662 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN B:201;
 Valid;
 none;
 submit data
880.062 n/a O=C([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OQS 2 Å EC: 1.11.1.7 CRYSTAL STRUCTURE OF IMPORTIN-ALPHA BOUND TO A CLIC4 NLS PEP HOMO SAPIENS IMPORTIN ALPHA KARYOPHERIN ALPHA NUCLEAR LOCALISATION SIGNRECOGNITION CHLORIDE INTRACELLULAR CHANNEL 4 CLIC4 NLS AREPEAT NUCLEAR IMPORT PROTEIN TRANSPORT
Ref.: CRYSTAL STRUCTURE OF IMPORTIN-ALPHA BOUND TO A PEPT BEARING THE NUCLEAR LOCALISATION SIGNAL FROM CHLORI INTRACELLULAR CHANNEL PROTEIN 4 FEBS J. V. 278 1662 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 6D7M - SIN C4 H6 O4 C(CC(=O)O)....
2 3OQS - VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN n/a n/a
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: VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN; Similar ligands found: 126
No: Ligand ECFP6 Tc MDL keys Tc
1 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 1 1
2 SER SER ARG LYS GLU TYR TYR ALA 0.657407 0.898305
3 GLY GLY ARG LYS LYS TYR LYS LEU 0.605263 0.915254
4 GLY GLY LYS LYS ARG TYR LYS LEU 0.605263 0.915254
5 GLY GLY LYS LYS LYS TYR ARG LEU 0.605263 0.915254
6 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.603448 0.932203
7 GLU LEU ARG ARG LYS MET MET TYR MET 0.569106 0.857143
8 SER ASP TYR GLN ARG LEU 0.548673 0.913793
9 THR ASN GLU TYR LYS VAL 0.544643 0.877193
10 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.534351 0.901639
11 GLU LEU ASN ARG LYS MET ILE TYR MET 0.528571 0.904762
12 PHE TYR ARG ALA LEU MET 0.519685 0.796875
13 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.518797 0.933333
14 GLU LEU LYS ARG LYS MET ILE TYR MET 0.518519 0.857143
15 ALA ARG THR MLY GLN THR ALA ARG TYR 0.515625 0.835821
16 LEU GLU LYS ALA ARG GLY SER THR TYR 0.510638 0.903226
17 SER GLU LEU GLU ILE LYS ARG TYR 0.503817 0.918033
18 GLU ASN GLN LYS GLU TYR PHE PHE 0.5 0.813559
19 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.493056 0.873016
20 ALA LYS PHE ARG HIS ASP 0.492063 0.793651
21 GLU LEU ASP LYS TYR ALA SER 0.491935 0.786885
22 GLY GLY LYS LYS LYS TYR LYS LEU 0.491228 0.813559
23 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.48855 0.83871
24 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.488189 0.8
25 PHE ARG TYR LEU GLY 0.487603 0.852459
26 GLU LEU LYS TPO GLU ARG TYR 0.485294 0.820895
27 THR LYS ASN TYR LYS GLN PHE SER VAL 0.484127 0.806452
28 ASP ALA GLU PHE ARG HIS ASP 0.483607 0.824561
29 GLY GLY LYS LYS LYS TYR GLN LEU 0.483333 0.813559
30 PHE LEU ALA TYR LYS 0.478992 0.766667
31 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.478571 0.828125
32 TYR PRO LYS ARG ILE ALA 0.477941 0.742857
33 ALA ARG THR GLU LEU TYR ARG SER LEU 0.477273 0.901639
34 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.47482 0.83871
35 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.47482 0.883333
36 ARG ASP ARG ALA ALA LYS LEU 0.472727 0.775862
37 ALA MET TYR LYS 0.468468 0.725806
38 ALA ARG LYS LEU ASP 0.46789 0.810345
39 ALA GLN PHE SER ALA SER ALA SER ARG 0.467213 0.816667
40 THR PHE LYS LYS THR ASN 0.465517 0.79661
41 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.465517 0.79661
42 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.464567 0.833333
43 ARG TYR GLY PHE VAL ALA ASN PHE 0.463235 0.916667
44 GLY LEU TYR ALA SER LYS LEU ALA 0.46281 0.786885
45 THR LYS ASN TYR LYS GLN THR SER VAL 0.462121 0.85
46 SER LEU ARG PHE LEU TYR GLU GLY 0.462121 0.857143
47 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA 0.462121 0.790323
48 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.459854 0.881356
49 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.459627 0.675325
50 VAL ALA PHE ARG SER 0.457627 0.779661
51 ACE ALA ARG THR GLU VAL TYR NH2 0.456693 0.931035
52 ACE PHE LYS PHE TA2 ALA LEU ARG NH2 0.455882 0.83871
53 ARG GLY TYR LEU TYR GLN GLY LEU 0.453846 0.852459
54 2UE DLY LYS DAR 0.452174 0.779661
55 VAL ALA ARG SER 0.451923 0.745763
56 LYS TYR LYS 0.451923 0.77193
57 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.449612 0.724638
58 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.449275 0.9
59 SER ARG TYR TRP ALA ILE ARG THR ARG 0.446667 0.757143
60 CYS THR PHE LYS THR LYS THR ASN 0.446281 0.783333
61 DLY DTY DLY DLY DAL DLE ZDC 0.444444 0.727273
62 ASP GLU LEU GLU ILE LYS ALA TYR 0.443609 0.830508
63 GLY ASN PHE LEU GLN SER ARG 0.442748 0.822581
64 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.441379 0.848485
65 GLU GLN TYR LYS PHE TYR SER VAL 0.438462 0.819672
66 GLU LEU ARG SER ARG TYR TRP ALA ILE 0.437909 0.785714
67 ALA TYR ARG 0.436364 0.842105
68 SER GLU ILE GLU PHE ALA ARG LEU 0.433824 0.819672
69 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.432836 0.873016
70 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.432624 0.822581
71 ALA THR ILE GLY THR ALA MET TYR LYS 0.432624 0.738462
72 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.430556 0.738462
73 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.430464 0.722222
74 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.428571 0.736111
75 PAC DLY DLY DAR 0.428571 0.793103
76 THR ASN GLU TYR TYR VAL 0.428571 0.762712
77 ASN LYS PTR GLY ASN CA 0.427419 0.712121
78 VAL TYR 0.427083 0.649123
79 ARG PRO MET THR TYR LYS GLY ALA LEU 0.425926 0.746667
80 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.425806 0.826087
81 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.424658 0.819672
82 SER SER ILE GLU PHE ALA ARG LEU 0.42446 0.806452
83 GLY ASN TYR SER PHE TYR ALA LEU 0.424 0.71875
84 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.423611 0.883333
85 ACE PHE ALA TYR M3L SER NH2 0.422764 0.652778
86 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.422764 0.716667
87 ASP ALA ASP GLU TYR LEU 0.421488 0.728814
88 ARG ABA PHE ILE PHE ALA ASN ILE 0.421053 0.803279
89 ARG ARG GLU VAL HIS THR TYR TYR 0.42069 0.848485
90 ASP ALA GLU PHE ARG HIS ASP SER 0.42029 0.777778
91 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.42029 0.774194
92 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.42 0.777778
93 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.419355 0.712329
94 PHE LEU SER TYR LYS 0.419355 0.774194
95 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.41844 0.706667
96 PHE ALN ARG ARG ARG ARG SLL ARG 00S 0.417391 0.716667
97 TYR GLN SER LYS LEU 0.416667 0.816667
98 ARG GLY TYR VAL TYR GLN GLY LEU 0.416058 0.852459
99 LYS ALA ALA ARG M3L SER ALA 0.416 0.671429
100 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.415205 0.695122
101 THR ASN GLU PHE TYR ALA 0.414634 0.721311
102 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.413793 0.772727
103 LYS ARG LYS 0.413462 0.736842
104 LEU ARG ASN GLN SER VAL PHE ASN PHE 0.413043 0.825397
105 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.412698 0.810345
106 ALA ARG THR M3L GLN THR ALA ARG 0.412698 0.724638
107 ACE ARG TYR ALA VAL VAL PRO ASP GLU 0.411765 0.75
108 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.409938 0.739726
109 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.409722 0.883333
110 ASP ARG VAL TYR ILE HIS PRO PHE 0.409722 0.846154
111 ALA ARG THR LYS GLN THR ALA ARG LYS 0.409449 0.813559
112 THR ASN GLU PHE TYR PHE 0.408696 0.711864
113 LYS ARG ARG LYS SEP VAL 0.40678 0.686567
114 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.406667 0.854839
115 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.406452 0.8
116 GLY ALA ARG ALA HIS SER SER 0.40625 0.772727
117 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.405797 0.746032
118 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.405797 0.819672
119 ALA PTR ARG 0.405172 0.738462
120 ACE LYS ARG ARG LYS SEP VAL 0.404959 0.686567
121 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.404762 0.746667
122 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.403974 0.753425
123 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.402597 0.848485
124 CYS ASP PTR ALA ASN PHE LYS 0.401786 0.754386
125 ARG ABA VAL ILE PHE ALA ASN ILE 0.40146 0.847458
126 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.401408 0.757576
Similar Ligands (3D)
Ligand no: 1; Ligand: VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN; 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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