Receptor
PDB id Resolution Class Description Source Keywords
3EYK 2.5 Å NON-ENZYME: BINDING STRUCTURE OF INFLUENZA HAEMAGGLUTININ IN COMPLEX WITH AN INHIBITOR OF MEMBRANE FUSION INFLUENZA A VIRUS INFLUENZA HEMAGGLUTININ INHIBITOR ENVELOPE PROTEIN FUSION PROTEIN GLYCOPROTEIN LIPOPROTEIN MEMBRANE PALMITATE TRANSMEMBRANE VIRION VIRAL PROTEIN
Ref.: STRUCTURE OF INFLUENZA HEMAGGLUTININ IN COMPLEX WITH AN INHIBITOR OF MEMBRANE FUSION PROC.NATL.ACAD.SCI.USA V. 105 17736 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EYK B:173;
Valid;
none;
submit data
166.217 C10 H14 O2 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EYK 2.5 Å NON-ENZYME: BINDING STRUCTURE OF INFLUENZA HAEMAGGLUTININ IN COMPLEX WITH AN INHIBITOR OF MEMBRANE FUSION INFLUENZA A VIRUS INFLUENZA HEMAGGLUTININ INHIBITOR ENVELOPE PROTEIN FUSION PROTEIN GLYCOPROTEIN LIPOPROTEIN MEMBRANE PALMITATE TRANSMEMBRANE VIRION VIRAL PROTEIN
Ref.: STRUCTURE OF INFLUENZA HEMAGGLUTININ IN COMPLEX WITH AN INHIBITOR OF MEMBRANE FUSION PROC.NATL.ACAD.SCI.USA V. 105 17736 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3EYK - EYK C10 H14 O2 CC(C)(C)c1....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5XL7 - SIA GAL NAG n/a n/a
2 5XL6 - SIA C11 H19 N O9 CC(=O)N[C@....
3 5XLC - SIA C11 H19 N O9 CC(=O)N[C@....
4 5XL3 - SIA C11 H19 N O9 CC(=O)N[C@....
5 5XL4 - SIA C11 H19 N O9 CC(=O)N[C@....
6 5XLD - SIA GAL NAG n/a n/a
7 5VTY - SIA GAL n/a n/a
8 5VTR - SIA GAL NAG n/a n/a
9 5VTV - SIA GAL n/a n/a
10 5VU4 - SIA GAL n/a n/a
11 4WE5 - NAG NAG BMA n/a n/a
12 5VTW - SIA C11 H19 N O9 CC(=O)N[C@....
13 3EYK - EYK C10 H14 O2 CC(C)(C)c1....
50% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 1RVZ - SIA GAL NAG n/a n/a
2 1RVX - SIA GAL NAG n/a n/a
3 1RV0 - NDG C8 H15 N O6 CC(=O)N[C@....
4 1RVT - SIA GAL n/a n/a
5 4BH3 Kd = 12 mM SIA GAL NAG n/a n/a
6 4CQW - SIA GAL NAG n/a n/a
7 4BH0 Kd = 17 mM SIA GAL NAG n/a n/a
8 3ZNL - SIA GLA NGS FUC n/a n/a
9 1JSO - SIA C11 H19 N O9 CC(=O)N[C@....
10 3ZP2 - SIA GAL n/a n/a
11 4CQY - SIA GAL NAG n/a n/a
12 4BGX Kd = 1.7 mM SIA GAL n/a n/a
13 4CQR - SIA GAL n/a n/a
14 4BH4 Kd = 32 mM SIA GAL NAG n/a n/a
15 1JSN - SIA GAL NAG n/a n/a
16 4CQX - SIA GAL NAG n/a n/a
17 4BH1 Kd = 1.1 mM SIA GAL NAG n/a n/a
18 4KDO - SIA C11 H19 N O9 CC(=O)N[C@....
19 3ZNM - SIA GLA NAG FUC n/a n/a
20 4KDN - SIA C11 H19 N O9 CC(=O)N[C@....
21 4CQU - SIA GAL n/a n/a
22 5AJM - SIA GAL NAG n/a n/a
23 4D00 - SIA GAL NAG n/a n/a
24 5TH1 - SIA GAL NAG n/a n/a
25 4CYZ - SIA GAL NAG n/a n/a
26 5TGU - SIA GAL NAG n/a n/a
27 3UBQ - SIA GAL n/a n/a
28 3UBE - NAG SIA GAL n/a n/a
29 3UBJ - SIA GAL n/a n/a
30 4N62 - SIA GAL NGS n/a n/a
31 4BSH - SIA GAL n/a n/a
32 4BSB - SIA GAL NAG n/a n/a
33 4LN8 - SIA NAG GAL GAL n/a n/a
34 4BSD - SIA GAL NAG n/a n/a
35 4LKK Kd = 0.33 uM SIA GAL n/a n/a
36 5T6S - 75U C22 H25 Br N2 O3 S CCOC(=O)c1....
37 1JSH - SIA GAL n/a n/a
38 1JSI - SIA GAL NAG GAL GLC n/a n/a
39 5XL7 - SIA GAL NAG n/a n/a
40 5XL6 - SIA C11 H19 N O9 CC(=O)N[C@....
41 5XLC - SIA C11 H19 N O9 CC(=O)N[C@....
42 5XL3 - SIA C11 H19 N O9 CC(=O)N[C@....
43 5XL4 - SIA C11 H19 N O9 CC(=O)N[C@....
44 5XLD - SIA GAL NAG n/a n/a
45 5VTY - SIA GAL n/a n/a
46 5VTR - SIA GAL NAG n/a n/a
47 5VTV - SIA GAL n/a n/a
48 5VU4 - SIA GAL n/a n/a
49 4WE5 - NAG NAG BMA n/a n/a
50 5VTW - SIA C11 H19 N O9 CC(=O)N[C@....
51 3EYK - EYK C10 H14 O2 CC(C)(C)c1....
52 4XKF - SIA GAL NAG n/a n/a
53 5BR6 - SIA GAL NAG n/a n/a
54 4XKG - SIA GAL n/a n/a
55 4XKE - SIA GAL NAG n/a n/a
56 5T0E - SIA GAL n/a n/a
57 5T0B - SIA GAL NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EYK; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 EYK 1 1
2 BHQ 0.433333 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EYK; Ligand: EYK; Similar sites found: 269
This union binding pocket(no: 1) in the query (biounit: 3eyk.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Q1Y BB2 0.02167 0.41765 2.32558
2 1PL6 NAD 0.02308 0.40034 2.32558
3 1PL6 572 0.04297 0.40034 2.32558
4 3TA2 AKG 0.02046 0.41107 2.47678
5 3TA2 ATP 0.03885 0.40297 2.47678
6 2CNT COA 0.002781 0.48 2.5
7 3FRH SAH 0.009188 0.40558 2.7668
8 2IMP NAI 0.0013 0.50678 2.78638
9 1CMC SAM 0.002127 0.49739 2.88462
10 3VKX T3 0.0001391 0.49744 2.90698
11 3B9Z CO2 0.0001836 0.46113 2.90698
12 2NLI FMN 0.005472 0.45859 2.90698
13 2NLI LAC 0.005472 0.45859 2.90698
14 4N02 FNR 0.02911 0.42396 2.90698
15 3HIW C2X 0.008929 0.40334 2.90698
16 1VR0 3SL 0.03959 0.40133 2.90698
17 3OIG NAD 0.001175 0.49819 3.00752
18 3OIG IMJ 0.00531 0.4435 3.00752
19 1JUV NDP 0.03035 0.40052 3.10881
20 1I9G SAM 0.002087 0.47567 3.21429
21 1SS4 GSH 0.004342 0.4529 3.26797
22 2FZH DH1 0.03881 0.42117 3.39806
23 1T57 FMN 0.01022 0.41641 3.39806
24 2BLE 5GP 0.0001711 0.54019 3.40557
25 4DXJ IPE 0.01887 0.42734 3.40557
26 4DXJ 0M9 0.0173 0.42734 3.40557
27 4Q3F TLA 0.001039 0.41001 3.4188
28 1GSA ADP 0.00195 0.47896 3.48101
29 1GSA GSH 0.003457 0.46114 3.48101
30 2BNE U5P 0.0003736 0.49853 3.48837
31 1UBY DMA 0.001198 0.47267 3.48837
32 1H9A NAP 0.04478 0.42568 3.48837
33 1YC4 43P 0.01676 0.42565 3.48837
34 1RYI GOA 0.01214 0.42491 3.48837
35 3CL7 HYN 0.008858 0.4224 3.48837
36 2DKH 3HB 0.0332 0.4116 3.48837
37 1TU3 GNP 0.009175 0.42319 3.50877
38 2BJ4 OHT 0.007431 0.44735 3.57143
39 3H86 AP5 0.003165 0.46728 3.64583
40 3A8U PLP 0.006852 0.4275 3.71517
41 2BL9 CP6 0.031 0.44492 3.78151
42 3VHZ SOG 0.0001145 0.55064 3.81679
43 3VHZ L2P GLC MAN SGA 0.0008529 0.51 3.81679
44 1D09 PAL 0.01079 0.46943 3.87097
45 1GHE ACO 0.002684 0.4813 3.9548
46 4BUZ OCZ 0.008505 0.42984 4.06504
47 3FS8 ACO 0.000264 0.54118 4.06977
48 3FS8 TDR 0.0002407 0.54118 4.06977
49 4GCS 1RG 0.004407 0.43545 4.06977
50 3GFZ FMN 0.01913 0.42389 4.06977
51 2RH1 CAU 0.03014 0.41284 4.06977
52 3IOI 1GW 0.02941 0.40715 4.06977
53 3UH0 TSB 0.01778 0.40704 4.06977
54 3HY3 10F 0.02301 0.40192 4.06977
55 2YBQ UP2 0.0491 0.40052 4.06977
56 3NJQ NJQ 0.03611 0.40134 4.14508
57 2CFA FAD 0.04121 0.40919 4.14747
58 1P9P SAH 0.01489 0.40901 4.21456
59 2V9M CIT 0.0006955 0.45054 4.37956
60 2NT8 ATP 0.0004883 0.4865 4.4843
61 3KMZ EQO 0.005411 0.46062 4.51128
62 1I2B USQ 0.009899 0.47605 4.65116
63 1I2B NAD 0.009899 0.47605 4.65116
64 1I2B UPG 0.009899 0.47605 4.65116
65 1ZFJ IMP 0.01471 0.45892 4.65116
66 4HA9 NDP 0.01127 0.4453 4.65116
67 1Z44 NPO 0.005672 0.43887 4.65116
68 1U7Z PMT 0.03462 0.40485 4.65116
69 3PY5 AMP 0.01473 0.40028 4.65116
70 2YLD CMO 0.00316 0.4103 4.72441
71 3O03 NAP 0.002179 0.48322 4.811
72 3O03 GCO 0.000552 0.46031 4.811
73 4C0C WVH 0.0004408 0.50763 4.95356
74 4G1V FAD 0.007584 0.47367 4.95356
75 2J07 FAD 0.01531 0.46492 5
76 3ZS7 ATP 0.01344 0.41103 5
77 1P0H ACO 0.01108 0.47535 5.03145
78 1P0H COA 0.01084 0.47535 5.03145
79 4DN8 BMA 0.00005258 0.48344 5.12821
80 1TIQ COA 0.003749 0.46521 5.23256
81 4PB2 5UD 0.0000008099 0.43389 5.23256
82 3KFC 61X 0.04668 0.41414 5.23256
83 1X54 4AD 0.01536 0.41145 5.23256
84 3ACC 5GP 0.008778 0.40084 5.23256
85 2WPX ACO 0.008299 0.43522 5.26316
86 1YMT DR9 0.01794 0.43776 5.28455
87 2AMV BIN 0.01739 0.43369 5.57276
88 4I71 AGV 0.005929 0.42172 5.57276
89 1ZGA HMK 0.00723 0.40943 5.57276
90 2CIG 1DG 0.01983 0.43129 5.66038
91 1EDO NAP 0.002303 0.48905 5.7377
92 2PAR TMP 0.0003564 0.51051 5.81395
93 1T26 NAI 0.001563 0.50924 5.81395
94 1T26 GBD 0.001563 0.50924 5.81395
95 1GET NAP 0.02179 0.44879 5.81395
96 1GET FAD 0.02096 0.44879 5.81395
97 4NTD FAD 0.007319 0.4424 5.81395
98 3QCP FAD 0.00948 0.43433 5.81395
99 1SOW NAD 0.01285 0.4242 5.81395
100 1SBZ FMN 0.01348 0.42321 5.81395
101 1UXG FUM 0.02025 0.4211 5.82524
102 1UXG NAD 0.02025 0.4211 5.82524
103 1A8S PPI 0.0002496 0.40221 5.86081
104 3FPZ AHZ 0.006617 0.47028 5.88235
105 1L1Q 9DA 0.00334 0.43474 5.91398
106 2FWP CIT 0.01966 0.4143 6.01093
107 2FWP ICR 0.03815 0.40487 6.01093
108 2BZ1 TAU 0.002386 0.45829 6.12245
109 2B82 ADN 0.01895 0.40265 6.16114
110 3C56 PH4 0.03883 0.41713 6.18893
111 2YVF FAD 0.01753 0.43977 6.19195
112 2YVF NAD 0.01804 0.43977 6.19195
113 3N5O GSH 0.01082 0.4101 6.38298
114 2X61 NGA GAL SIA 0.0004195 0.51899 6.39535
115 2X61 CH 0.001303 0.47947 6.39535
116 4HZX G39 0.003424 0.4593 6.39535
117 2PX6 DH9 0.008191 0.45198 6.39535
118 3OV6 MK0 0.008105 0.44748 6.39535
119 3L0E G58 0.03233 0.42629 6.39535
120 2Q2Y ADP 0.0379 0.42606 6.39535
121 4DQ2 BTX 0.01219 0.42159 6.39535
122 1FP1 HCC 0.00845 0.41487 6.39535
123 1S8G DAO 0.009195 0.43671 6.61157
124 4N69 SER 0.002017 0.41833 6.64336
125 3GD8 GOL 0.002304 0.4491 6.72646
126 3NBK PNS 0.02488 0.42545 6.77966
127 2ZKJ ADP 0.008033 0.46299 6.81115
128 2ZJ3 G6P 0.002831 0.43795 6.81115
129 1W55 C 0.02557 0.42384 6.81115
130 4OYA 1VE 0.001257 0.51623 6.97674
131 2AEB ABH 0.001112 0.47617 6.97674
132 4IVG ANP 0.01319 0.43966 6.97674
133 4EKQ NPO 0.008225 0.43597 6.97674
134 4LO6 SIA GAL 0.002136 0.42807 6.97674
135 3DAG FEG 0.01209 0.41768 6.97674
136 1PJS NAD 0.0303 0.40573 6.97674
137 2J8Z NAP 0.03032 0.40305 6.97674
138 1B9I PXG 0.02451 0.40066 6.97674
139 2WOR 2AN 0.006575 0.41126 7
140 2H6B 3C4 0.007761 0.45414 7.2
141 2GFD RDA 0.03307 0.4188 7.20339
142 4E1N TQX 0.001496 0.45414 7.22892
143 3K3G MMU 0.0002261 0.43547 7.43034
144 2HCR AMP 0.003314 0.42282 7.43034
145 1F7L COA 0.0009592 0.4792 7.43802
146 1BTN I3P 0.02868 0.40174 7.54717
147 1MG1 MAL 0.001306 0.4568 7.55556
148 1V5F TPP 0.001364 0.52853 7.55814
149 1V5F FAD 0.001364 0.52853 7.55814
150 1H6C SIN 0.007085 0.46045 7.55814
151 1OFH ADP 0.002093 0.45263 7.55814
152 1B8U OAA 0.003338 0.45176 7.55814
153 4POJ 2VP 0.03069 0.42158 7.55814
154 1KYZ SAH 0.005914 0.41983 7.55814
155 1Q3Q ANP 0.04788 0.41566 7.55814
156 1B8U NAD 0.01076 0.41374 7.55814
157 2CKM AA7 0.04716 0.40584 7.55814
158 4F8L GAL 0.00535 0.44019 7.58621
159 4KVX ACO 0.01821 0.40874 7.69231
160 1R27 MGD 0.02377 0.41578 7.73994
161 3O7W SAM 0.001376 0.46668 7.82313
162 1DR1 NAP 0.03409 0.43841 7.93651
163 3SP6 IL2 0.003657 0.45869 8.07018
164 3PAK MAN 0.004399 0.42442 8.10811
165 2O1V ADP 0.00327 0.45924 8.13953
166 1RY2 AMP 0.001988 0.45366 8.13953
167 1U5V ATP 0.0000002396 0.4476 8.13953
168 3EJ0 11X 0.0003242 0.4282 8.13953
169 4KCF FMN 0.02733 0.41384 8.13953
170 4KCF AKM 0.02321 0.40175 8.13953
171 4INB 1F6 0.03527 0.41109 8.21918
172 3KDU NKS 0.02679 0.42288 8.30325
173 2HMT NAI 0.002674 0.47222 8.33333
174 3IO3 ADP 0.008573 0.41459 8.35913
175 1HG4 LPP 0.0458 0.41376 8.35913
176 2ZPA ACO 0.0131 0.42295 8.66873
177 4TSK NDP 0.0002809 0.52769 8.72093
178 4TSK TLA 0.00146 0.45078 8.72093
179 3UCL CYH 0.04168 0.4456 8.72093
180 3UCL NAP 0.04402 0.4456 8.72093
181 1BUC CAA 0.01501 0.44398 8.72093
182 2J7T 274 0.007002 0.43281 8.72093
183 2E9L PLM 0.03471 0.42817 8.72093
184 2Q8H TF4 0.005544 0.42114 8.72093
185 1TDF FAD 0.04063 0.41305 8.72093
186 4GYW UDP 0.02782 0.4083 8.72093
187 3ZJ0 ACO 0.02686 0.41082 8.73786
188 2HVK TBA 0.002237 0.41648 8.87097
189 2V5E SCR 0.0006549 0.47514 8.91089
190 3CXO 3LR 0.008823 0.42813 9.28793
191 1DXY COI 0.01269 0.40428 9.28793
192 3CXO 1N5 0.03735 0.40109 9.28793
193 4HZD COA 0.000637 0.48955 9.30233
194 2XBP ATP 0.006737 0.4512 9.73451
195 1RRC ADP 0.0002651 0.48803 9.88372
196 1R0X ATP 0.0009411 0.47893 9.88372
197 1DSS NAD 0.006416 0.43033 9.88372
198 1B66 BIO 0.01289 0.41419 10
199 4OK9 HIS 0.01301 0.40652 10.0671
200 3Q9T FAY 0.02489 0.41676 10.2167
201 2YD6 FLC 0.0001955 0.54664 10.3774
202 1OTH PAO 0.002303 0.45934 10.4651
203 3BQD DAY 0.01425 0.4386 10.4651
204 1YKI FMN 0.02257 0.43633 10.4651
205 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.005452 0.43593 10.4651
206 1PFK ADP 0.005402 0.41944 10.4651
207 4LSJ LSJ 0.01308 0.40993 10.4651
208 2QIA U20 0.001783 0.48476 11.0465
209 2PNZ UDP 0.007556 0.42706 11.0465
210 4LOC BTN 0.02744 0.40796 11.0465
211 2P4T NAP 0.00007965 0.52634 11.2903
212 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.0167 0.40665 11.3043
213 2C31 TZD 0.04624 0.42381 11.4551
214 2C31 ADP 0.0452 0.42381 11.4551
215 3IHB TRS 0.0002434 0.56109 11.6279
216 2Z7I 742 0.003134 0.52934 11.6279
217 4HGP KDO 0.0009611 0.48108 11.6279
218 3Q3C NAD 0.008413 0.45089 11.6279
219 1SAZ ACP 0.01756 0.44725 11.6279
220 3SQG COM 0.01432 0.40942 11.6279
221 1YS4 NAP 0.0234 0.40007 11.6279
222 1Y8O ADP 0.008294 0.40445 11.7188
223 2W3L DRO 0.002084 0.44101 11.8056
224 2BGM NAJ 0.001465 0.49184 12.2093
225 2BGM MAX 0.007436 0.42587 12.2093
226 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.02504 0.41848 12.2093
227 4NES UDP 0.01347 0.40397 12.2093
228 2QHD DAO 0.03555 0.40638 12.2951
229 3SVJ 4LI 0.02239 0.43336 12.3153
230 2DUA OXL 0.001916 0.44552 12.7907
231 3SUC ATP 0.0435 0.40495 12.7907
232 3G08 FEE 0.01817 0.4112 13.1313
233 1FM9 570 0.00539 0.48616 13.3721
234 3H0A D30 0.005434 0.46364 13.3721
235 1SSQ CYS 0.00786 0.44791 13.3721
236 2PRG BRL 0.009231 0.42785 13.3721
237 1NVU GTP 0.0371 0.42001 13.3721
238 2HFP NSI 0.03208 0.40535 13.3721
239 4UBP HAE 0.001378 0.45289 13.4921
240 1WWZ ACO 0.002526 0.49213 13.8365
241 3C1O NAP 0.005536 0.43173 13.9535
242 4IS0 1R4 0.01915 0.40404 13.9535
243 4HIA FMN 0.0005429 0.53194 15.1163
244 1V1A KDG 0.0001573 0.49505 15.1163
245 3OZG SSI 0.006772 0.41513 15.6
246 1A5Z OXM 0.001622 0.43735 15.6977
247 1NME 159 0.004676 0.41996 17.1233
248 1FIQ MTE 0.01426 0.41967 17.3516
249 1FIQ SAL 0.01602 0.41967 17.3516
250 2I4O ATP 0.004006 0.418 17.4419
251 1H9G COA MYR 0.001849 0.4923 18.6047
252 3QCJ NX4 0.0493 0.41338 18.6047
253 1ID0 ANP 0.002755 0.45615 19.0789
254 2GJ3 FAD 0.02182 0.40146 20.8333
255 3MDV CL6 0.01115 0.43466 21.5116
256 2E2R 2OH 0.01302 0.45205 22.093
257 1NU4 MLA 0.002814 0.41237 23.7113
258 1HFA PIO 0.00005498 0.58352 23.8372
259 1UUY PPI 0.0000649 0.44116 23.9521
260 3QWI CUE 0.0468 0.40137 24.4186
261 3TO7 COA 0.001466 0.4759 25
262 2HK9 NAP 0.009905 0.41904 25.5814
263 1JA9 NDP 0.00008345 0.56244 29.0698
264 1GAD NAD 0.002214 0.45308 29.0698
265 1JA9 PYQ 0.01347 0.41956 29.0698
266 4PO2 ASN ARG LEU LEU LEU THR GLY 0.01463 0.40935 31.3953
267 4GQB 0XU 0.004883 0.46264 36.3636
268 5E65 5N6 GAL 0.00001012 0.41137 42.7711
269 3KPE TM3 0.000004052 0.52919 43.5897
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