Receptor
PDB id Resolution Class Description Source Keywords
3OQS 2 Å NON-ENZYME: SIGNAL_HORMONE 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
881.07 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OQS 2 Å NON-ENZYME: SIGNAL_HORMONE 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 (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 3OQS - VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN n/a n/a
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: VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN; Similar ligands found: 141
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 0.644231 0.898305
3 GLY GLY ARG LYS LYS TYR LYS LEU 0.585586 0.915254
4 GLY GLY LYS LYS ARG TYR LYS LEU 0.585586 0.915254
5 GLY GLY LYS LYS LYS TYR ARG LEU 0.585586 0.915254
6 GLU LEU ARG ARG LYS MET MET TYR MET 0.57265 0.857143
7 VAL ALA PHE ARG SER 0.564815 0.779661
8 SER ASP TYR GLN ARG LEU 0.563636 0.913793
9 VAL ALA ARG SER 0.553191 0.745763
10 THR ASN GLU TYR LYS VAL 0.536364 0.842105
11 PHE TYR ARG ALA LEU MET 0.528455 0.796875
12 GLU LEU ASN ARG LYS MET ILE TYR MET 0.525926 0.904762
13 ALA ARG THR MLY GLN THR ALA ARG TYR 0.52 0.835821
14 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.51938 0.901639
15 GLU LEU LYS ARG LYS MET ILE TYR MET 0.515385 0.857143
16 THR TYR LYS PHE PHE GLU GLN 0.504348 0.783333
17 GLU ASN PRO THR TYR LYS PHE PHE GLU GLN 0.504348 0.783333
18 GLU LEU ASP LYS TYR ALA SER 0.504202 0.770492
19 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.504 0.883333
20 GLU ASN GLN LYS GLU TYR PHE PHE 0.5 0.779661
21 SER SER LEU GLU ASN PHE ARG ALA TYR VAL 0.5 0.873016
22 LEU GLU LYS ALA ARG GLY SER THR TYR 0.5 0.903226
23 THR PHE LYS LYS THR ASN 0.495495 0.779661
24 SER GLU LEU GLU ILE LYS ARG TYR 0.492188 0.918033
25 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.492188 0.83871
26 ALA THR VAL ARG THR TYR SER CYS 0.491803 0.868852
27 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.490566 0.711864
28 ALA LYS PHE ARG HIS ASP 0.487603 0.793651
29 PHE ARG TYR LEU GLY 0.487395 0.852459
30 PHE LEU ALA TYR LYS 0.486957 0.733333
31 GLY GLY LYS LYS LYS TYR LYS LEU 0.486486 0.79661
32 SER ARG TYR TRP ALA ILE ARG THR ARG 0.485915 0.757143
33 GLU LEU LYS TPO GLU ARG TYR 0.484615 0.820895
34 ALA ARG THR GLU LEU TYR ARG SER LEU 0.484375 0.901639
35 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.483607 0.8
36 THR LYS ASN TYR LYS GLN PHE SER VAL 0.483607 0.806452
37 GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG 0.481481 0.883333
38 LYS TYR LYS 0.479592 0.736842
39 ALA GLN PHE SER ALA SER ALA SER ARG 0.478632 0.816667
40 GLY GLY LYS LYS LYS TYR GLN LEU 0.478632 0.813559
41 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.477941 0.83871
42 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.471545 0.816667
43 ARG TYR GLY PHE VAL ALA ASN PHE 0.469697 0.916667
44 THR LYS ASN TYR LYS GLN THR SER VAL 0.468254 0.85
45 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.466165 0.881356
46 ARG GLY TYR LEU TYR GLN GLY LEU 0.464 0.852459
47 TYR PRO LYS ARG ILE ALA 0.462687 0.742857
48 ARG ASP ARG ALA ALA LYS LEU 0.462264 0.775862
49 ASP GLU LEU GLU ILE LYS ALA TYR 0.460938 0.79661
50 GLY LEU TYR ALA SER LYS LEU ALA 0.457627 0.770492
51 THR ASN GLU PHE TYR ALA 0.457627 0.721311
52 ALA TYR ARG 0.457143 0.842105
53 ACE ALA ARG THR GLU VAL TYR NH2 0.455285 0.931035
54 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.455224 0.9
55 GLU GLN TYR LYS PHE TYR SER VAL 0.451613 0.819672
56 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.451613 0.765625
57 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.44898 0.724138
58 ASP ALA ASP GLU TYR LEU 0.448276 0.711864
59 THR ASN GLU TYR TYR VAL 0.445455 0.745763
60 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.444444 0.724638
61 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.442857 0.738462
62 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.442308 0.791667
63 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.441667 0.716667
64 CYS THR PHE LYS THR LYS THR ASN 0.440678 0.783333
65 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.440559 0.848485
66 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.440252 0.675325
67 SER GLU ILE GLU PHE ALA ARG LEU 0.439394 0.819672
68 ARG ABA PHE ILE PHE ALA ASN ILE 0.4375 0.803279
69 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.436242 0.826087
70 ASP ALA GLU PHE ARG HIS ASP SER 0.43609 0.777778
71 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.434783 0.883333
72 LYS ALA LEU TYR ASN PHE ALA THR MET 0.434783 0.742424
73 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.434783 0.822581
74 GLY ASN PHE LEU GLN SER ARG 0.434109 0.822581
75 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.433333 0.813559
76 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.432624 0.819672
77 GLY ASN TYR SER PHE TYR ALA LEU 0.430894 0.71875
78 LYS ALA VAL TYR ASN PHE ALA THR MET 0.430657 0.742424
79 LYS ALA VAL TYR ASN LEU ALA THR MET 0.430657 0.765625
80 VAL TYR 0.430108 0.614035
81 ALA ARG LYS LEU ASP 0.429907 0.810345
82 SER SER ILE GLU PHE ALA ARG LEU 0.42963 0.806452
83 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.42953 0.722222
84 LYS ARG LYS 0.428571 0.736842
85 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.428571 0.873016
86 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.425373 0.774194
87 ASP ALA GLU PHE ARG HIS ASP 0.425197 0.777778
88 PHE LEU SER TYR LYS 0.425 0.758065
89 THR ASN GLU PHE TYR PHE 0.424779 0.694915
90 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.424658 0.777778
91 ARG GLY TYR VAL TYR GLN GLY LEU 0.424242 0.852459
92 ALA ARG THR M3L GLN THR ALA ARG 0.422764 0.724638
93 ASN LYS PTR GLY ASN CA 0.422764 0.681159
94 LYS ALA ALA ARG M3L SER ALA 0.421488 0.671429
95 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.420168 0.6
96 ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO 0.419847 0.813559
97 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.418803 0.711864
98 ALA ARG THR LYS GLN THR ALA ARG 0.418033 0.813559
99 ALA ARG THR LYS GLN THR ALA ARG LYS 0.418033 0.813559
100 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.417266 0.883333
101 ARG ABA VAL ILE PHE ALA ASN ILE 0.416667 0.847458
102 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.415493 0.772727
103 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.415385 0.769231
104 TYR GLN SER LYS LEU 0.415254 0.816667
105 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.414815 0.737705
106 SER LEU TYR ASN THR VAL ALA THR LEU 0.414062 0.737705
107 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.413333 0.716418
108 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.412698 0.735294
109 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.412587 0.706667
110 ARG ARG ARG ARG SER TRP TYR 0.412214 0.735294
111 GLY ARG PHE GLN VAL THR 0.411765 0.775862
112 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.410959 0.854839
113 SER LEU TYR ASN THR ILE ALA THR LEU 0.410853 0.741935
114 SER LEU TYR ASN VAL VAL ALA THR LEU 0.410853 0.737705
115 LYS ARG ARG LYS SEP VAL 0.410714 0.686567
116 ALA PTR ARG 0.410714 0.738462
117 GLU LEU ASP LYS TRP ALA ASN 0.410448 0.681818
118 SER SER LEU GLU ASN PHE ALA ALA TYR VAL 0.410072 0.746032
119 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.41 0.736842
120 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.408805 0.739726
121 ARG PRO MET THR TYR LYS GLY ALA LEU 0.408805 0.746667
122 SER GLN TYR TYR TYR ASN SER LEU 0.408333 0.746032
123 LYS GLN THR ALA ARG M3L SER THR GLY 0.408 0.7
124 CYS THR GLU LEU LYS LEU ASN ASP TYR 0.407407 0.819672
125 ACE PHE LYS PHE TA2 ALA LEU ARG NH2 0.407143 0.83871
126 GLU ASN LEU TYR PHE GLN 0.406504 0.766667
127 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.405229 0.8
128 VAL LEU ARG ASP ASP LEU LEU GLU ALA 0.405172 0.779661
129 ALA VAL TYR ASN PHE ALA THR MET 0.402985 0.681818
130 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.402878 0.676923
131 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.402878 0.836066
132 ARG ARG ALA ALA 0.401961 0.724138
133 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.401639 0.810345
134 ACE PHE ALA TYR M3L SER NH2 0.401575 0.625
135 ASP SER TRP LYS ASP GLY CYS TYR 0.40146 0.676471
136 THR PHE GLN ALA PSA LEU ARG GLU 0.401361 0.825397
137 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.4 0.848485
138 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.4 0.796875
139 GLY ALA ARG ALA HIS SER SER 0.4 0.772727
140 THR ASN GLU PHE ALA PHE 0.4 0.627119
141 ALA THR ARG ASN PHE SER GLY 0.4 0.819672
Similar Binding Sites (Proteins are less than 50% similar to leader)
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