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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 510 families.
1 3EYK - EYK C10 H14 O2 CC(C)(C)c1....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 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 6BKQ - SIA GAL n/a n/a
13 5VTW - SIA C11 H19 N O9 CC(=O)N[C@....
14 6BKT - SIA GAL NAG n/a n/a
15 6AOS - SIA GAL NAG n/a n/a
16 6BKS - SIA C11 H19 N O9 CC(=O)N[C@....
17 6AOT - SIA GAL n/a n/a
18 6AOV - SIA GAL NAG GAL NAG n/a n/a
19 6BKR - SIA GAL NAG n/a n/a
20 3EYK - EYK C10 H14 O2 CC(C)(C)c1....
50% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 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 6BKQ - SIA GAL n/a n/a
51 5VTW - SIA C11 H19 N O9 CC(=O)N[C@....
52 6BKT - SIA GAL NAG n/a n/a
53 6AOS - SIA GAL NAG n/a n/a
54 6BKS - SIA C11 H19 N O9 CC(=O)N[C@....
55 6AOT - SIA GAL n/a n/a
56 6AOV - SIA GAL NAG GAL NAG n/a n/a
57 6BKR - SIA GAL NAG n/a n/a
58 3EYK - EYK C10 H14 O2 CC(C)(C)c1....
59 5VMF Kd = 0.305 uM SIA GAL NAG n/a n/a
60 5VMC - SIA GAL NAG n/a n/a
61 5VMG - SIA GAL n/a n/a
62 4XKF - SIA GAL NAG n/a n/a
63 5BR6 - SIA GAL NAG n/a n/a
64 4XKG - SIA GAL n/a n/a
65 4XKE - SIA GAL NAG n/a n/a
66 5T0E - SIA GAL n/a n/a
67 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 with APoc: 306
This union binding pocket(no: 1) in the query (biounit: 3eyk.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 5MT9 ARG None
3 4F4S EFO None
4 4WG0 CHD None
5 3GAY P6T 1.85759
6 4NE2 SH2 2.32558
7 4NE2 ADP 2.32558
8 1Q1Y BB2 2.32558
9 4KOT CE3 2.46914
10 2CNT COA 2.5
11 5HCN DAO 2.68199
12 3FRH SAH 2.7668
13 4ZOW CLM 2.78638
14 4AVB ACO 2.78638
15 1CMC SAM 2.88462
16 4TM3 FAD 2.90698
17 3AQT RCO 2.90698
18 1VR0 3SL 2.90698
19 2FR3 REA 2.91971
20 5FVJ ACO 3.01205
21 4XU6 TDA 3.33333
22 5LAU AR6 3.36538
23 2FZH DH1 3.39806
24 4DXJ 0M9 3.40557
25 4DXJ IPE 3.40557
26 1UBY DMA 3.48837
27 4LPG 1MV 3.48837
28 4JD3 PLM 3.48837
29 5E9W SAH 3.48837
30 2YI0 YI0 3.48837
31 1YC4 43P 3.48837
32 1H9A NAP 3.48837
33 4JD3 COA 3.48837
34 2QZO KN1 3.48837
35 2QA8 GEN 3.48837
36 2BJ4 OHT 3.57143
37 4TV1 36M 3.58566
38 5FI3 NAP 3.71517
39 2BL9 NDP 3.78151
40 5BQI GSH 3.8961
41 5BQI 4UL 3.8961
42 1GHE ACO 3.9548
43 3QLM PLM 4.03226
44 4BUZ OCZ 4.06504
45 1PI5 SM2 4.06977
46 5UC4 83S 4.06977
47 3GFZ FMN 4.06977
48 5D9O BGC BGC BGC BGC 4.06977
49 5XET ME8 4.06977
50 2RH1 CAU 4.06977
51 5OLK DTP 4.06977
52 2PEZ DAT 4.06977
53 3NJQ NJQ 4.14508
54 2CFA FAD 4.14747
55 3GPO APR 4.16667
56 2JBZ COA 4.1958
57 4OD7 ACE PRO TRP ALA THR CYS ASP SER NH2 4.21053
58 5X13 HC4 4.25532
59 6BQC LOP 4.33437
60 3KMZ EQO 4.51128
61 3O01 DXC 4.54545
62 3IPQ 965 4.59364
63 6MDE MEV 4.62046
64 4IBF 1D5 4.65116
65 2QE4 JJ3 4.65116
66 1DKF BMS 4.65116
67 4YRY NAD 4.65116
68 4HA9 NDP 4.65116
69 5AAV GW5 4.65116
70 3F3E LEU 4.65116
71 1DKF OLA 4.65116
72 6CB2 OLC 4.65116
73 4YDQ HFG 4.65116
74 1N71 COA 4.65116
75 2B3D FAD 4.90196
76 2BP1 FLC 4.95356
77 4M4Q 21A 4.97925
78 2J07 FAD 5
79 2J07 HDF 5
80 1P0H ACO 5.03145
81 1P0H COA 5.03145
82 2DRC MTX 5.03145
83 4XUB 43D 5.12821
84 4OAS 2SW 5.20833
85 3FIU POP 5.22088
86 6ARJ BW4 5.23256
87 6ARJ SAH 5.23256
88 1TIQ COA 5.23256
89 4KM2 ATR 5.23256
90 3KFC 61X 5.23256
91 5KF9 ACO 5.23256
92 2WPW ACO 5.26316
93 2WPX ACO 5.26316
94 4DK7 0KS 5.26316
95 1A05 IPM 5.26316
96 1YMT DR9 5.28455
97 1MUU NAD 5.57276
98 1MV8 NAD 5.57276
99 2CIG 1DG 5.66038
100 3TL1 JRO 5.66038
101 4UP3 NDP 5.73248
102 4TWP AXI 5.81395
103 6MPT C30 5.81395
104 4QJR PIZ 5.81395
105 1ZDT PEF 5.81395
106 3QCP FAD 5.81395
107 1GET NAP 5.81395
108 2GMH UQ5 5.81395
109 3UR0 SVR 5.81395
110 1AOE GW3 5.81395
111 1AOE NDP 5.81395
112 1OPK P16 5.81395
113 4OHU 2TK 5.81395
114 5IOR FAD 5.81395
115 5IOR DUS 5.81395
116 5IOR RBF 5.81395
117 4OHU NAD 5.81395
118 4ZBR NPS 5.88235
119 4ZBR DIF 5.88235
120 5F1R 42O 5.90717
121 3C56 PH4 6.18893
122 6H21 UD1 6.19195
123 4LY9 1YY 6.39535
124 4LY9 S6P 6.39535
125 1UUO BRF 6.39535
126 1UUO FMN 6.39535
127 1UUO ORO 6.39535
128 5ICE SAH 6.39535
129 5ICE 2H4 6.39535
130 5B0W 22B 6.39535
131 2PX6 DH9 6.39535
132 5W8Q BU4 6.39535
133 3L0E G58 6.39535
134 2Q2Y ADP 6.39535
135 2Q2Y MKR 6.39535
136 6D28 NEC 6.39535
137 1YYE 196 6.39535
138 5D9J 0N8 6.41711
139 1V0C ACO 6.43564
140 1V0C KNC 6.43564
141 4Y30 49L 6.50155
142 4Y30 SAH 6.50155
143 5XNA SHV 6.52174
144 1S8G DAO 6.61157
145 3NBK PNS 6.77966
146 5V4R MGT 6.79012
147 2ZKJ ADP 6.81115
148 1W55 GPP 6.81115
149 6CHP F0Y 6.8323
150 1PZO CBT 6.84411
151 3K9U ACO 6.91824
152 5A04 NDP 6.97674
153 5A04 BGC 6.97674
154 5B4B LP5 6.97674
155 5W7D PX8 6.97674
156 1YUC EPH 6.97674
157 4EKQ NPO 6.97674
158 2F5T MAL 6.97674
159 6C1R EFD 6.97674
160 1PJS NAD 6.97674
161 1YOK P6L 6.97674
162 2W1A TSA 6.97674
163 2WOR 2AN 7
164 3WR7 COA 7.05882
165 4OIV XX9 7.07965
166 3OU2 SAH 7.33945
167 4XPL ACO 7.36196
168 2JJK R15 7.55814
169 1H6C NDP 7.55814
170 1H6C SIN 7.55814
171 1DMH LIO 7.55814
172 1BOB ACO 7.55814
173 4POJ 2VP 7.55814
174 1KYZ SAH 7.55814
175 4M8E 29V 7.55814
176 4DHY S41 7.55814
177 3FAL REA 7.55814
178 4KVX ACO 7.69231
179 3O7W SAM 7.82313
180 1DR1 NAP 7.93651
181 1DR1 HBI 7.93651
182 2V1O COA 7.94702
183 1K7L 544 7.98611
184 3SP6 IL2 8.07018
185 5OLZ T4E 8.13953
186 2O1V ADP 8.13953
187 3LDW IPE 8.13953
188 3LDW ZOL 8.13953
189 5GSN FAD 8.13953
190 4INB 1F6 8.21918
191 4UA3 COA 8.24742
192 3KDU NKS 8.30325
193 6GD6 EVB 8.33333
194 1HG4 LPP 8.35913
195 2NPA MMB 8.51852
196 2I0G I0G 8.56031
197 2ZPA ACO 8.66873
198 5WX3 COA 8.66873
199 3GZ9 D32 8.72093
200 5J6A P46 8.72093
201 3UCL NAP 8.72093
202 3UCL FAD 8.72093
203 3UCL CYH 8.72093
204 1BUC CAA 8.72093
205 4D42 W0I 8.72093
206 4D42 NAP 8.72093
207 3K9W 4PS 8.72093
208 3K9W ADE 8.72093
209 2E9L PLM 8.72093
210 5K0S 0OU 8.72093
211 3ZJ0 ACO 8.73786
212 5N26 CPT 8.79121
213 2FXU BID 8.97833
214 6EQS BV8 9.09091
215 1U3R 338 9.12863
216 9LDB NAD 9.30233
217 9LDT NAD 9.30233
218 3W68 VIV 9.30233
219 4OGQ 2WM 9.67742
220 4R57 ACO 9.88372
221 3IX9 MTX 9.88372
222 1JQI CAA 9.90712
223 1JQ9 PHE LEU SER TYR LYS 9.91736
224 4P6X HCY 10.4651
225 3BQD DAY 10.4651
226 1YKI FMN 10.4651
227 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 10.4651
228 5G5W R8C 10.4651
229 3E2M E2M 10.4651
230 3G5D 1N1 10.4651
231 5OSW AE4 10.4651
232 5V03 658 10.7843
233 1S7N COA 10.989
234 5UR6 8KM 11.0465
235 4CDN FAD 11.0465
236 4LOC BTN 11.0465
237 5VN0 NAI 11.0465
238 3U3U EAH 11.1588
239 2Q4V ACO 11.1765
240 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 11.3043
241 1ZEI CRS 11.3208
242 2D5Z L35 11.3475
243 5LX9 OLB 11.6279
244 5LWY OLB 11.6279
245 3CXH SMA 11.811
246 2B96 ANN 12.1951
247 6FS8 E4Z 12.1951
248 6GKV SAH 12.2093
249 3NRR D16 12.2093
250 2QHD DAO 12.2951
251 4G31 0WH 12.7907
252 4U9W COA 12.7907
253 1DTL BEP 13.0435
254 3SCM LGN 13.1313
255 3QUZ QUV 13.1313
256 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 13.2653
257 5LXT GDP 13.2867
258 5LXT 7AK 13.2867
259 3ZLR X0B 13.2911
260 4WQ2 3SU 13.2948
261 1FM9 570 13.3721
262 1RDT 570 13.3721
263 3H0A D30 13.3721
264 5TWO 7MV 13.3721
265 2P4Y C03 13.3721
266 3G5N PB2 13.3721
267 2PRG BRL 13.3721
268 2FHK MFN 13.3721
269 5AZC PGT 13.6667
270 3EWR APR 13.6905
271 1WWZ ACO 13.8365
272 5K04 COA 14.1176
273 3P0K FAD 14.5349
274 4L1F COS 15.1163
275 5WL1 D3D 15.1515
276 5WL1 CUY 15.1515
277 5TK8 7D5 15.4639
278 6FS0 E4W 15.7233
279 5WPJ NDP 15.7895
280 5NTP 98E 16.2791
281 5IXK 6EW 16.2791
282 3L9R L9R 16.3265
283 3L9R L9Q 16.3265
284 4CRZ ACO 16.7832
285 1GNI OLA 16.8605
286 2VWA PTY 17.8218
287 3KP6 SAL 17.8808
288 1H9G COA MYR 18.6047
289 3QCJ NX4 18.6047
290 1ID0 ANP 19.0789
291 2P1C GG3 19.186
292 4X8O AP5 20.0935
293 3MDV CL6 21.5116
294 2E2R 2OH 22.093
295 3LLI FAD 22.6744
296 4X9M FAD 23.5294
297 4YSX FAD 24.4186
298 3QWI CUE 24.4186
299 2HK9 NAP 25.5814
300 2DYR PEK 27.8912
301 5ZCO TGL 27.8912
302 5Z84 TGL 27.8912
303 2DYS PEK 27.8912
304 4QC6 30N 29.0503
305 5E8J SAH 31.8182
306 5LS7 ACO 34.1463
Pocket No.: 2; Query (leader) PDB : 3EYK; Ligand: EYK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3eyk.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3EYK; Ligand: EYK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3eyk.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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