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Receptor
PDB id Resolution Class Description Source Keywords
3SP6 2.21 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURAL BASIS FOR ILOPROST AS A DUAL PPARALPHA/DELTA AGON HOMO SAPIENS PPAR LBD NUCLEAR RECEPTOR FOLD LIGAND BINDING GENE TRANSCTRANSCRIPTION
Ref.: STRUCTURAL BASIS FOR ILOPROST AS A DUAL PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA/DELTA AGONIST J.BIOL.CHEM. V. 286 31473 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IL2 A:901;
Valid;
none;
submit data
360.487 C22 H32 O4 CC#CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SP6 2.21 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURAL BASIS FOR ILOPROST AS A DUAL PPARALPHA/DELTA AGON HOMO SAPIENS PPAR LBD NUCLEAR RECEPTOR FOLD LIGAND BINDING GENE TRANSCTRANSCRIPTION
Ref.: STRUCTURAL BASIS FOR ILOPROST AS A DUAL PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA/DELTA AGONIST J.BIOL.CHEM. V. 286 31473 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 3SP6 - IL2 C22 H32 O4 CC#CC[C@@H....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3SP6 - IL2 C22 H32 O4 CC#CC[C@@H....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 3SP6 - IL2 C22 H32 O4 CC#CC[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IL2; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IL2 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SP6; Ligand: IL2; Similar sites found with APoc: 299
This union binding pocket(no: 1) in the query (biounit: 3sp6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2WOR 2AN None
2 4WG0 CHD None
3 1MT1 AG2 None
4 5Y02 HBX None
5 1UO5 PIH None
6 3KO0 TFP None
7 1UVC STE None
8 2YLD CMO None
9 3E2M E2M None
10 1OQC FAD None
11 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.40351
12 4ORM 2V6 1.40351
13 4ORM FMN 1.40351
14 4ORM ORO 1.40351
15 1Q7E MET 1.40351
16 1Q1Y BB2 1.57068
17 1TIQ COA 1.66667
18 2HHP FLC 1.75439
19 3X01 AMP 1.75439
20 1I0B PEL 1.75439
21 4DR9 BB2 2.08333
22 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 2.09205
23 5HC0 NPO 2.10526
24 1EWF PC1 2.10526
25 4RW3 SHV 2.10526
26 1UUO BRF 2.10526
27 1UUO FMN 2.10526
28 1UUO ORO 2.10526
29 4QWT ACD 2.10526
30 2P1C GG3 2.10526
31 1TV5 N8E 2.10526
32 2HFK E4H 2.10526
33 3NB0 G6P 2.10526
34 2OZ5 7XY 2.10526
35 3P9T TCL 2.28311
36 2BP1 FLC 2.45614
37 5LOF 70R 2.45614
38 2HZL PYR 2.45614
39 1GVE CIT 2.45614
40 4JD3 PLM 2.45614
41 4JD3 COA 2.45614
42 1H9G COA MYR 2.46914
43 5CSD ACD 2.51572
44 5IF4 6AK 2.51572
45 1XX4 BAM 2.68199
46 3QKD HI0 2.76243
47 1ZED PNP 2.80702
48 5B0I BOG 2.80702
49 3LN0 52B 2.80702
50 2C78 PUL 2.80702
51 4DXJ IPE 2.80702
52 4DXJ 0M9 2.80702
53 6BA2 7KM 2.80702
54 6ARJ BW4 2.80702
55 4C01 QY9 2.80702
56 1NF8 BOG 2.89855
57 4QVX 3CQ 2.99401
58 1XQP 8HG 3.125
59 2JFZ 003 3.13725
60 1EYQ NAR 3.15315
61 6CB2 OLC 3.15789
62 3IX9 MTX 3.15789
63 1DMH LIO 3.15789
64 2JC9 ADN 3.15789
65 1RJW ETF 3.15789
66 5DEY 59T 3.15789
67 3ZLR X0B 3.16456
68 1U72 NDP 3.22581
69 1U72 MTX 3.22581
70 5TVI O8N 3.26087
71 4PGK Y69 3.27869
72 4I67 G G G RPC 3.44828
73 4WQ2 3SU 3.46821
74 3TDC 0EU 3.50877
75 3RWP ABQ 3.50877
76 4LPG 1MV 3.50877
77 4ZBR NPS 3.50877
78 4ZBR DIF 3.50877
79 1E4I NFG 3.50877
80 3HP9 CF1 3.50877
81 5OSW DIU 3.50877
82 5AZC PGT 3.50877
83 3QCP FAD 3.50877
84 4OHU NAD 3.50877
85 4OHU 2TK 3.50877
86 6FBA D48 3.50877
87 3E7O 35F 3.50877
88 5FVJ ACO 3.61446
89 1YKI NFZ 3.68664
90 1Y7I SAL 3.73134
91 4MNS 2AX 3.77358
92 4M8D 23J 3.80228
93 3SFI 3SF 3.81356
94 4WH9 3M8 3.82514
95 2H7C COA 3.85965
96 1TMX HGX 3.85965
97 5AE2 FYC 3.85965
98 6DIO CIT 3.85965
99 4O4Z N2O 3.8961
100 3NJQ NJQ 4.14508
101 3ROE THM 4.15094
102 3G58 988 4.21053
103 4ELG 52J 4.21687
104 5XNA SHV 4.34783
105 5MTE BB2 4.37956
106 1T27 PCW 4.42804
107 5B4B LP5 4.43548
108 3B9Z CO2 4.5614
109 2RH1 CLR 4.5614
110 6MPT C30 4.5614
111 5NCB JZ3 4.5614
112 6C7D EOJ 4.5614
113 5EY0 GTP 4.74453
114 2OKL BB2 4.86486
115 3O01 DXC 4.91228
116 2YPO PHE 4.91228
117 3ABA FLI 4.91228
118 5ICE 2H4 4.91228
119 1LNX URI 4.93827
120 3MBG FAD 5.03597
121 3GXO MQA 5.14905
122 6GMN F4E 5.15464
123 2JHP GUN 5.26316
124 4EIL FOL 5.26316
125 5EEH P9P 5.26316
126 6GK6 MYR 5.26316
127 5N7O 69Y 5.42986
128 4V3I ASP LEU THR ARG PRO 5.44747
129 4D7M TDC 5.52995
130 3F8C HT1 5.55556
131 2XN5 FUN 5.61404
132 3T58 FAD 5.61404
133 6BMS POV 5.61404
134 4DE3 DN8 5.70342
135 4YV5 SVR 5.7377
136 2WYV NAD 5.74713
137 4IA6 EIC 5.96491
138 3LDW ZOL 5.96491
139 6BR9 PGV 5.96491
140 5IM3 DTP 5.96491
141 2XEM SSV 6
142 3LLI FAD 6.13027
143 1DTL BEP 6.21118
144 4URN NOV 6.22222
145 4J7Q B7N 6.31579
146 3O55 FAD 6.4
147 5FH7 5XL 6.45161
148 1PZO CBT 6.46388
149 1R6N 434 6.63507
150 2BCG GER 6.66667
151 5V3Y 5V8 6.66667
152 4YSX E23 6.66667
153 2V57 PRL 6.66667
154 4HBM 0Y7 6.66667
155 5I8F ML1 6.66667
156 6BR8 6OU 6.74603
157 6BR8 PGV 6.74603
158 4R57 ACO 6.81818
159 4WGF HX2 6.82927
160 1YYE 196 7.08955
161 2BHW NEX 7.32759
162 3G5N PB2 7.36842
163 2PX6 DH9 7.36842
164 2I0G I0G 7.393
165 1ZDT PEF 7.46888
166 4WT2 3UD 7.61905
167 4XCP PLM 7.64706
168 6MVU K4V 7.7193
169 5CX6 CDP 7.7193
170 1U3R 338 7.88382
171 2CB8 MYA 8.04598
172 3EYK EYK 8.07018
173 3BPX SAL 8.10811
174 1YMT DR9 8.13008
175 5HCV 60R 8.17121
176 4LWU 20U 8.23529
177 1NU4 MLA 8.24742
178 2A3I C0R 8.3004
179 4OAS 2SW 8.33333
180 4RYV ZEA 8.3871
181 3B6C SDN 8.42105
182 3KJQ B94 8.42105
183 4M73 M72 8.42105
184 4M73 SAH 8.42105
185 1GHE ACO 8.47458
186 2VBQ BSJ 8.48485
187 5CHR 4NC 8.75912
188 3WHB DCC 8.76289
189 4LY9 1YY 8.77193
190 4LY9 S6P 8.77193
191 2Z7I 742 8.77193
192 2J1P GRG 8.77193
193 3AQT RCO 8.97959
194 1XZ3 ICF 9.1954
195 5V4R MGT 9.25926
196 6GL8 F3Q 9.30233
197 1RV1 IMZ 9.41177
198 6C0B PAM 9.47368
199 4H07 IPH 9.74026
200 5G5G FAD 9.82456
201 4XIZ LPP 10
202 4G86 BNT 10.1754
203 3BQD DAY 10.1961
204 2Y69 CHD 10.3093
205 4OGQ UMQ 10.6145
206 4OGQ SQD 10.6145
207 4OGQ 1O2 10.6145
208 4OGQ 7PH 10.6145
209 4OGQ 2WD 10.6145
210 5V03 658 10.7843
211 5EW9 5VC 11.0701
212 2O1V ADP 11.2281
213 4URX FK1 11.3514
214 2Q2Y ADP 11.5789
215 2Q2Y MKR 11.5789
216 4V1F BQ1 11.6279
217 5K7H IVC 11.6883
218 2BJ4 OHT 11.9048
219 3W54 RNB 11.9298
220 4AIG FLX 11.9403
221 3RMK BML 12.0482
222 4YDQ ANP 12.2807
223 4YDQ HFG 12.2807
224 6BVM EBV 12.5749
225 6BVK EAV 12.5749
226 6BVJ EAS 12.5749
227 6BVI EC4 12.5749
228 6BVL EBY 12.5749
229 4MIX UD1 12.9825
230 3CXH SMA 13.0137
231 5AAV GW5 13.0952
232 2QE4 JJ3 13.3065
233 2QZT PLM 13.5135
234 5Z84 CHD 13.5593
235 5ZCO CHD 13.5593
236 5W97 CHD 13.5593
237 2DYS TGL 13.5593
238 2DYR TGL 13.5593
239 5Z84 TGL 13.5593
240 5ZCO TGL 13.5593
241 4RJD TFP 13.6364
242 2WH8 II2 13.6842
243 1XVB 3BR 14.0351
244 1XVB BHL 14.0351
245 3L9R L9R 14.2857
246 3L9R L9Q 14.2857
247 2UW1 GVM 14.497
248 3KP6 SAL 14.5695
249 1N8V BDD 15.1786
250 1T0S BML 16.2791
251 4F4S EFO 17.1053
252 1HBK MYR 17.9775
253 4X6F 3XU 18.0952
254 5LXT GTP 18.5965
255 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 19
256 5WL1 D3D 19.1919
257 5WL1 CUY 19.1919
258 3QUZ QUV 19.1919
259 3G08 FEE 19.1919
260 5C9J DAO 19.1919
261 3RUG DB6 19.1919
262 3VET TOY 21.0526
263 3PMA SCR 24.1379
264 1YOK P6L 25
265 1YUC EPH 25.098
266 1ZDU P3A 26.1224
267 1G2N EPH 28.7879
268 1HG4 LPP 29.3907
269 1M13 HYF 29.8246
270 1NRL SRL 32
271 2E2R 2OH 34.0164
272 3KPE TM3 35.8974
273 1DB1 VDX 35.9073
274 3BEJ MUF 36.1345
275 2LBD REA 36.3296
276 5X8Q 82R 36.4341
277 3FS1 MYR 36.9565
278 3DCT 064 37.0213
279 1N83 CLR 37.037
280 3OKI OKI 37.3391
281 3RUU 37G 37.9913
282 5ICK FEZ 37.9913
283 4OIV XX9 38.9381
284 4DK7 0KS 39.2713
285 5NNT DPV 40.5405
286 1DKF BMS 40.8511
287 1DKF OLA 40.8511
288 1FCZ 156 41.2766
289 1PZL MYR 42.8571
290 3IPQ 965 43.4629
291 3UUA 0CZ 46.1538
292 3UUD EST 46.1538
293 2QA8 GEN 46.1538
294 3UU7 2OH 46.1538
295 2QZO KN1 46.1538
296 4POJ 2VP 46.1538
297 5NI5 8YB 46.6667
298 5A86 D7E 47.0588
299 3KMR EQN 47.7444
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