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 263 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 196 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 171 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: 148
This union binding pocket(no: 1) in the query (biounit: 3sp6.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.02994 0.4047 None
2 2YLD CMO 0.0281 0.40226 None
3 1OQC FAD 0.009383 0.40153 None
4 3KO0 TFP 0.04753 0.40118 None
5 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.0001921 0.53267 1.40351
6 4ORM 2V6 0.002034 0.46929 1.40351
7 4ORM FMN 0.002034 0.46929 1.40351
8 4ORM ORO 0.002034 0.46929 1.40351
9 1Q1Y BB2 0.006444 0.4127 1.57068
10 2HHP FLC 0.0003887 0.52188 1.75439
11 1I0B PEL 0.01522 0.4059 1.75439
12 4DR9 BB2 0.008795 0.40276 2.08333
13 4RW3 SHV 0.009696 0.42927 2.10526
14 4QWT ACD 0.003288 0.42482 2.10526
15 2P1C GG3 0.004164 0.42462 2.10526
16 1TV5 N8E 0.009695 0.42159 2.10526
17 5IR4 ZPE 0.01007 0.4205 2.10526
18 2Q8H TF4 0.009293 0.40988 2.10526
19 4IGH ORO 0.04421 0.40382 2.10526
20 4IGH FMN 0.04421 0.40382 2.10526
21 4IGH 1EA 0.04421 0.40382 2.10526
22 2BP1 FLC 0.007 0.43598 2.45614
23 1GVE CIT 0.01127 0.4228 2.45614
24 4JD3 COA 0.02102 0.4054 2.45614
25 4J6C STR 0.0254 0.40018 2.45614
26 1H9G COA MYR 0.005325 0.417 2.46914
27 5CSD ACD 0.01048 0.41474 2.51572
28 5IF4 6AK 0.01812 0.40367 2.51572
29 1XX4 BAM 0.006014 0.43767 2.68199
30 3WYJ H78 0.0141 0.42792 2.7668
31 4DXJ IPE 0.008463 0.41329 2.80702
32 4DXJ 0M9 0.00783 0.41226 2.80702
33 1NF8 BOG 0.005682 0.44355 2.89855
34 1XQP 8HG 0.01481 0.40361 3.125
35 3IX9 MTX 0.001221 0.43691 3.15789
36 1DMH LIO 0.009603 0.42053 3.15789
37 1U72 NDP 0.01979 0.41392 3.22581
38 4I67 G G G RPC 0.006075 0.42234 3.44828
39 3TDC 0EU 0.000165 0.51149 3.50877
40 3QCP FAD 0.0004365 0.46375 3.50877
41 3QCQ 3Q0 0.0119 0.44058 3.50877
42 4ZBR NPS 0.005236 0.42278 3.50877
43 4ZBR DIF 0.005578 0.42278 3.50877
44 5AZC PGT 0.04596 0.40922 3.50877
45 3E7O 35F 0.0149 0.40209 3.50877
46 5FVJ ACO 0.009426 0.4059 3.61446
47 1YKI NFZ 0.01534 0.40492 3.68664
48 4MNS 2AX 0.002009 0.45828 3.77358
49 4M8D 23J 0.02234 0.40305 3.80228
50 2H7C COA 0.01114 0.42964 3.85965
51 1TMX HGX 0.002741 0.40485 3.85965
52 3G58 988 0.01534 0.40286 4.21053
53 5B4B LP5 0.001819 0.44082 4.43548
54 3B9Z CO2 0.0131 0.42981 4.5614
55 2OKL BB2 0.005557 0.40801 4.86486
56 1LNX URI 0.02633 0.40285 4.93827
57 3MBG FAD 0.005166 0.4161 5.03597
58 2JHP GUN 0.003641 0.45654 5.26316
59 5N7O 69Y 0.001689 0.42243 5.42986
60 4V3I ASP LEU THR ARG PRO 0.0005396 0.49296 5.44747
61 2XN5 FUN 0.002664 0.43962 5.61404
62 4YV5 SVR 0.03945 0.42444 5.7377
63 3LDW ZOL 0.005798 0.42076 5.96491
64 2XEM SSV 0.005011 0.42638 6
65 1LEK GLU GLN TYR LYS PHE TYR SER VAL 0.03972 0.40615 6.06061
66 4URN NOV 0.02741 0.40145 6.22222
67 4J7Q B7N 0.01151 0.4006 6.31579
68 3O55 FAD 0.008846 0.4057 6.4
69 1R6N 434 0.009074 0.42634 6.63507
70 2V57 PRL 0.01711 0.4112 6.66667
71 4HBM 0Y7 0.007696 0.40023 6.66667
72 1YYE 196 0.00002607 0.52259 7.08955
73 3G5N PB2 0.01611 0.43188 7.36842
74 2I0G I0G 0.0005923 0.48545 7.393
75 1ZDT PEF 0.0004503 0.46486 7.46888
76 4WT2 3UD 0.002511 0.43307 7.61905
77 1U3R 338 0.00005833 0.4822 7.88382
78 2CB8 MYA 0.01704 0.41278 8.04598
79 3EYK EYK 0.003657 0.45869 8.07018
80 3BPX SAL 0.01733 0.41142 8.10811
81 1YMT DR9 0.0007239 0.45728 8.13008
82 5HCV 60R 0.00007 0.4769 8.17121
83 4LWU 20U 0.0008275 0.45366 8.23529
84 2A3I C0R 0.000408 0.45748 8.3004
85 4OAS 2SW 0.0007903 0.45458 8.33333
86 3B6C SDN 0.001619 0.46113 8.42105
87 4M73 SAH 0.009268 0.41721 8.42105
88 1GHE ACO 0.007344 0.40623 8.47458
89 2Z7I 742 0.03731 0.40866 8.77193
90 2J1P GRG 0.002196 0.40166 8.77193
91 3AQT RCO 0.003033 0.45429 8.97959
92 5V4R MGT 0.01171 0.42851 9.25926
93 4H07 IPH 0.005817 0.41808 9.74026
94 5G5G FAD 0.02237 0.40412 9.82456
95 4XIZ LPP 0.01689 0.40076 10
96 3BQD DAY 0.0007426 0.44618 10.1961
97 5EW9 5VC 0.006354 0.46067 11.0701
98 2Q2Y ADP 0.01977 0.42634 11.5789
99 2Q2Y MKR 0.01977 0.42634 11.5789
100 5K7H IVC 0.007401 0.40274 11.6883
101 2BJ4 OHT 0.00009517 0.48268 11.9048
102 3W54 RNB 0.003138 0.41892 11.9298
103 4AIG FLX 0.007063 0.41917 11.9403
104 4MIX UD1 0.006914 0.40746 12.9825
105 5AAV GW5 0.000004449 0.59157 13.0952
106 2QE4 JJ3 0.00001973 0.55717 13.3065
107 2QZT PLM 0.01276 0.40136 13.5135
108 2DYR TGL 0.007761 0.41623 13.5593
109 2WH8 II2 0.01045 0.41529 13.6842
110 1XVB 3BR 0.002461 0.44128 14.0351
111 3KP6 SAL 0.01418 0.41158 14.5695
112 1T0S BML 0.0151 0.4179 16.2791
113 4X6F 3XU 0.02351 0.40035 18.0952
114 3G08 FEE 0.02125 0.41314 19.1919
115 5L2J 6UL 0.009478 0.43643 19.3878
116 5L2J 70E 0.01005 0.43643 19.3878
117 3PMA SCR 0.0196 0.4101 24.1379
118 1YOK P6L 0.0004067 0.4787 25
119 1YUC EPH 0.0005221 0.40905 25.098
120 1G2N EPH 0.006665 0.40808 28.7879
121 1M13 HYF 0.000006819 0.55364 29.8246
122 1NRL SRL 0.000009664 0.51234 32
123 2E2R 2OH 0.000564 0.47086 34.0164
124 1DB1 VDX 0.00003937 0.52075 35.9073
125 3BEJ MUF 0.00001441 0.52292 36.1345
126 2LBD REA 0.002494 0.42854 36.3296
127 5X8Q 82R 0.008598 0.40159 36.4341
128 3FS1 MYR 0.002014 0.41338 36.9565
129 3DCT 064 0.00003926 0.50816 37.0213
130 1N83 CLR 0.001959 0.40019 37.037
131 5ICK FEZ 0.00007293 0.48528 37.9913
132 3RUU 37G 0.00004438 0.43644 37.9913
133 4DK7 0KS 0.00004158 0.49575 39.2713
134 1N4H REA 0.001734 0.43203 40
135 1DKF BMS 0.0002592 0.43855 40.8511
136 1DKF OLA 0.00446 0.42005 40.8511
137 1XIU REA 0.004143 0.41362 40.8696
138 1FCZ 156 0.001212 0.4083 41.2766
139 1PZL MYR 0.00476 0.41096 42.8571
140 3IPQ 965 0.00002994 0.43337 43.4629
141 3UUA 0CZ 0.0000508 0.52249 46.1538
142 2QA8 GEN 0.0000772 0.50095 46.1538
143 3UUD EST 0.00004201 0.47425 46.1538
144 3UU7 2OH 0.001465 0.46334 46.1538
145 4POJ 2VP 0.0004812 0.45827 46.1538
146 2QZO KN1 0.0003388 0.45665 46.1538
147 5A86 D7E 0.0009642 0.4041 47.0588
148 3KMR EQN 0.0008261 0.44004 47.7444
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