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Receptor
PDB id Resolution Class Description Source Keywords
3G9E 2.3 Å EC: 2.3.1.48 ALEGLITAAR. A NEW. POTENT, AND BALANCED DUAL PPARA/G AGONIST FOR THE TREATMENT OF TYPE II DIABETES HOMO SAPIENS NUCLEAR RECEPTOR TRANSCRIPTION FACTOR DIABETES ACTIVATORALTERNATIVE SPLICING DIABETES MELLITUS DISEASE MUTATION DNA-BINDING METAL-BINDING NUCLEUS OBESITY PHOSPHOPROTEIN POLYMORPHISM RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER ACYLTRANSFERASE CHROMOSOMAL REARRANGEMENT PROTO-ONCOGENETRANSFERASE UBL CONJUGATION TRANSCRIPTION/TRANSFERASE COMPLEX
Ref.: ALEGLITAZAR, A NEW, POTENT, AND BALANCED DUAL PPARALPHA/GAMMA AGONIST FOR THE TREATMENT OF TYPE II DIABETES. BIOORG.MED.CHEM.LETT. V. 19 2468 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RO7 A:1;
Valid;
none;
ic50 = 0.019 uM
437.508 C24 H23 N O5 S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3G9E 2.3 Å EC: 2.3.1.48 ALEGLITAAR. A NEW. POTENT, AND BALANCED DUAL PPARA/G AGONIST FOR THE TREATMENT OF TYPE II DIABETES HOMO SAPIENS NUCLEAR RECEPTOR TRANSCRIPTION FACTOR DIABETES ACTIVATORALTERNATIVE SPLICING DIABETES MELLITUS DISEASE MUTATION DNA-BINDING METAL-BINDING NUCLEUS OBESITY PHOSPHOPROTEIN POLYMORPHISM RECEPTOR TRANSCRIPTION TRANSCRIPTION REGULATION ZINC ZINC-FINGER ACYLTRANSFERASE CHROMOSOMAL REARRANGEMENT PROTO-ONCOGENETRANSFERASE UBL CONJUGATION TRANSCRIPTION/TRANSFERASE COMPLEX
Ref.: ALEGLITAZAR, A NEW, POTENT, AND BALANCED DUAL PPARALPHA/GAMMA AGONIST FOR THE TREATMENT OF TYPE II DIABETES. BIOORG.MED.CHEM.LETT. V. 19 2468 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 3G9E ic50 = 0.019 uM RO7 C24 H23 N O5 S Cc1c(nc(o1....
2 2FVJ - RO0 C33 H38 N2 O5 COc1ccccc1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 3G9E ic50 = 0.019 uM RO7 C24 H23 N O5 S Cc1c(nc(o1....
2 2FVJ - RO0 C33 H38 N2 O5 COc1ccccc1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 3G9E ic50 = 0.019 uM RO7 C24 H23 N O5 S Cc1c(nc(o1....
2 2FVJ - RO0 C33 H38 N2 O5 COc1ccccc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RO7; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 RO7 1 1
2 8A7 0.609524 0.790323
3 544 0.4 0.734375
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3G9E; Ligand: RO7; Similar sites found with APoc: 369
This union binding pocket(no: 1) in the query (biounit: 3g9e.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 2WOR 2AN None
2 5TVI MYR None
3 3KPE TM3 None
4 5KZV HCD None
5 2ALG DAO None
6 1UVC STE None
7 4V1F BQ1 None
8 4WG0 CHD None
9 6GD6 EVB None
10 5N8V KZZ None
11 4UYG 73B None
12 4K55 H6P None
13 3KYQ DPV None
14 5MT9 SRO None
15 5MT9 ARG None
16 1FX8 BOG 0.738007
17 1XZC PMB 0.934579
18 1TMX HGX 1.10701
19 5B0I BOG 1.16618
20 6CB2 OLC 1.47601
21 4DR9 BB2 1.5625
22 1S8G DAO 1.65289
23 4JP3 CIT 1.67364
24 6DIO CIT 1.84502
25 5B25 4QJ 1.84502
26 4OKD GLC GLC GLC 1.84502
27 4D4U FUC GAL NAG 1.84502
28 3E70 GDP 1.84502
29 4DE3 DN8 1.90114
30 5K53 STE 1.9084
31 3L1N PLM 2.06186
32 3G5K BB2 2.18579
33 1W55 GPP 2.21402
34 5VRH OLB 2.21402
35 5OLK DTP 2.21402
36 4IA6 EIC 2.21402
37 5FPN KYD 2.21402
38 1TLG GAL 2.4
39 5D1R 56S 2.51046
40 3B6C SDN 2.5641
41 6CGN DA 2.58303
42 1XMY ROL 2.58303
43 6C1R EFD 2.58303
44 4RW3 DKA 2.58303
45 3SQP 3J8 2.58303
46 1UBY DMA 2.58303
47 3IX9 MTX 2.63158
48 2IDO TMP 2.68817
49 3QKD HI0 2.76243
50 2UXI G50 2.85714
51 3LA3 2FT 2.88066
52 6A0S NDP 2.95203
53 2RH1 CLR 2.95203
54 2O1V ADP 2.95203
55 2XN5 FUN 2.95203
56 3ZQE DXC 2.95203
57 3QCP FAD 2.95203
58 3RDE OYP 2.95203
59 4KCF AKM 2.95203
60 6BTN E8M 2.9703
61 4QVX 3CQ 2.99401
62 5K52 OCD 3.01887
63 3ROE THM 3.01887
64 6A56 LAT 3.04878
65 4XPL ACO 3.06748
66 3IA4 MTX 3.08642
67 3NJQ NJQ 3.10881
68 4P3H 25G 3.10881
69 5CSD ACD 3.14465
70 2XHK AKG 3.15315
71 5KD8 TNR 3.22004
72 4UYF 73B 3.24675
73 3AQT RCO 3.26531
74 2YDW WSH 3.26797
75 3R9V DXC 3.32103
76 3A23 GAL 3.32103
77 3GFZ FMN 3.32103
78 5IM3 DTP 3.32103
79 5MUA GAL 3.32103
80 4B1V LAB 3.32103
81 3TW1 AHN 3.37553
82 2BCG GER 3.39806
83 4WGF HX2 3.41463
84 4RC8 STE 3.6036
85 1KTG AMP 3.62319
86 5B4B LP5 3.62903
87 5DCH 1YO 3.64583
88 5CHR 4NC 3.64964
89 3TDC 0EU 3.69004
90 5V3Y 5V8 3.69004
91 3W54 RNB 3.69004
92 5CQG 55C 3.69004
93 5AZC PGT 3.69004
94 2GMH UQ5 3.69004
95 4NKW PLO 3.69004
96 5EE7 5MV 3.69004
97 5XJN 88L 3.69004
98 3EE4 MYR 3.71517
99 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.76569
100 1ZEM NAD 3.81679
101 5JWM 6ON 3.84615
102 4V3I ASP LEU THR ARG PRO 3.89105
103 4DOO DAO 3.90244
104 4URN NOV 4
105 1XZ3 ICF 4.02299
106 3QUZ QUV 4.0404
107 3B99 U51 4.05904
108 1ZPD CIT 4.05904
109 5ZQ4 AMP 4.05904
110 1Q19 SSC 4.05904
111 2UW1 GVM 4.05904
112 1KPG 16A 4.05904
113 4MLN ODV 4.08163
114 2D5X L35 4.10959
115 6CAY ERG 4.14201
116 1CM0 COA 4.16667
117 5KAU RHQ 4.24242
118 5X3R 7Y3 4.39024
119 2HHP FLC 4.42804
120 5LX9 OLB 4.42804
121 5AHS COA 4.42804
122 3ZJX BOG 4.42804
123 5KOD IAC 4.42804
124 4ETZ C2E 4.42804
125 1EYQ NAR 4.5045
126 2PR5 FMN 4.54545
127 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 4.60526
128 5VOM 9GY 4.69799
129 5EY0 GTP 4.74453
130 3FXU TSU 4.79705
131 5OKL PAM 4.79705
132 2X1E X1E 4.79705
133 4MRP GSH 4.79705
134 1TIQ COA 5
135 4UYE 9F9 5.08475
136 1I0B PEL 5.16605
137 2QJY UQ2 5.16605
138 3X01 AMP 5.16605
139 5YJS SAL 5.16605
140 1R0X ATP 5.16605
141 5A7C 5D4 5.30973
142 4JX1 CAH 5.30973
143 5IUY BOG 5.53506
144 5OSW DIU 5.53506
145 5OSW AE4 5.53506
146 4DXJ 0M9 5.53506
147 1R6N 434 5.6872
148 1X8D RNS 5.76923
149 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.90406
150 3UNG ADP 5.90406
151 4Q86 AMP 5.90406
152 5EGH PC 5.90406
153 2BHW NEX 6.03448
154 2BHW XAT 6.03448
155 2Z6D FMN 6.15385
156 6GG9 FMN 6.17284
157 5V4R MGT 6.17284
158 3W5N RAM 6.27306
159 2PX6 DH9 6.27306
160 4YFB PAC 6.27306
161 4RLT FSE 6.32911
162 4RYV ZEA 6.45161
163 4XCP PLM 6.47059
164 2RKN LP3 6.49351
165 3VKX T3 6.51341
166 1DTL BEP 6.8323
167 6GBV FMN 6.84932
168 5UGW GSH 6.85714
169 3TL1 JRO 6.91824
170 2Z49 AMG 7.01107
171 1TV5 N8E 7.01107
172 4GCZ FMN 7.01107
173 6D5H FV7 7.01107
174 6D5V FVY 7.01107
175 6D59 FVJ 7.01107
176 6D56 FVM 7.01107
177 6D5L FW7 7.01107
178 4NB5 2JT 7.01754
179 1XQP 8HG 7.03125
180 4LWU 20U 7.05882
181 3O5N BR0 7.14286
182 3I6B KDO 7.22222
183 2XEM SSV 7.33333
184 4ZGM 32M 7.37705
185 3P7N FMN 7.38007
186 6BR9 6OU 7.38007
187 2CHG ANP 7.52212
188 3VVY ET 7.73196
189 5G5W R8C 7.74908
190 5MWY YNU 7.74908
191 1NHZ 486 7.74908
192 4F4S EFO 7.89474
193 3V49 PK0 7.89474
194 6BR8 6OU 7.93651
195 6BR8 PGV 7.93651
196 2X4T ASN LEU VAL PRW MET VAL ALA THR VAL 8
197 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 8
198 5C9J DAO 8.08081
199 5WL1 D3D 8.08081
200 5WL1 CUY 8.08081
201 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 8.08081
202 1ELI PYC 8.11808
203 4LSJ LSJ 8.13953
204 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 8.16327
205 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 8.16327
206 1M2Z DEX 8.17121
207 1M2Z BOG 8.17121
208 2AX9 BHM 8.20312
209 4P6X HCY 8.23529
210 4J26 EST 8.33333
211 4J24 EST 8.33333
212 3OLL EST 8.33333
213 4P6W MOF 8.33333
214 2GBB CIT 8.33333
215 5TV6 PML 8.33333
216 3RY9 1CA 8.4
217 5LWY OLB 8.41121
218 3RMK BML 8.43373
219 5L7G 6QE 8.48709
220 4UDB CV7 8.48709
221 1SR7 MOF 8.49421
222 2QA8 GEN 8.52713
223 2QZO KN1 8.52713
224 4OAR 2S0 8.52713
225 3KJQ B94 8.53659
226 4MGA 27L 8.62745
227 4MGD 27N 8.62745
228 4MG8 27J 8.62745
229 4TUZ 36J 8.62745
230 4MG7 27H 8.62745
231 4MG9 27K 8.62745
232 4MGB XDH 8.62745
233 1XW6 GSH 8.7156
234 2BJ4 OHT 8.73016
235 5AAV GW5 8.73016
236 4TV1 36M 8.76494
237 5CX6 CDP 8.85609
238 5OM2 DXT 8.85609
239 4EIL FOL 8.85609
240 2QE4 JJ3 8.87097
241 4FGC PQ0 9.09091
242 3NB0 G6P 9.22509
243 1YC4 43P 9.5941
244 4E2J MOF 9.6
245 2Q1H AS4 9.6
246 3GN8 DEX 9.63855
247 5UFS 1TA 9.67742
248 1MT1 AG2 9.73451
249 1LQY BB2 9.78261
250 4G9N NGA 9.79021
251 1N8V BDD 9.82143
252 3KO0 TFP 9.90099
253 3GXO MQA 9.9631
254 1NF8 BOG 10.1449
255 4LO2 GAL BGC 10.2041
256 1NU4 MLA 10.3093
257 5OCA 9QZ 10.3175
258 2CB8 MYA 10.3448
259 5UC1 486 10.3604
260 5KK4 44E 10.4167
261 2OZ5 7XY 10.473
262 1N13 AG2 10.6195
263 2QQC AG2 10.7143
264 4HBM 0Y7 10.8333
265 5W97 CHD 11.1111
266 5ZCO CHD 11.1111
267 3F8C HT1 11.1111
268 2Y69 CHD 11.1111
269 5Z84 CHD 11.1111
270 4BJX 73B 11.1111
271 5ZCO PEK 11.1111
272 5Z84 PEK 11.1111
273 1C9K 5GP 11.1111
274 4R38 RBF 11.4286
275 4FHT DHB 11.465
276 4IHL 1F5 11.4894
277 1T0S BML 11.6279
278 1S17 GNR 11.6667
279 1XVB 3BR 11.8081
280 3KP6 SAL 11.9205
281 5W7B MYR 12.0567
282 4WUJ FMN 12.2449
283 5OF1 SAL 12.8571
284 4G86 BNT 13.2841
285 1RL4 BRR 13.2979
286 1RL4 BL5 13.2979
287 4OAS 2SW 13.5417
288 1YRE COA 13.7056
289 5OVV ACE ILE GLU SER THR GLU ILE 13.8211
290 1ZED PNP 14.0221
291 3DFR MTX 14.1975
292 4EXO PYR 14.3836
293 1RV1 IMZ 15.2941
294 2HW2 RFP 15.3846
295 6F5U CQN 15.4762
296 6BMS POV 15.4982
297 1HBK MYR 15.7303
298 4YSX E23 15.9574
299 5V03 658 16.6667
300 3ANP DAO 16.6667
301 3ANP DCC 16.6667
302 1Q3A NGH 16.9697
303 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 17
304 5X80 SAL 17.5
305 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 17.6471
306 6C74 PC 19.8198
307 3PMA SCR 20.6897
308 2VWA PTY 20.7921
309 4OGQ UMQ 21.6216
310 4OGQ 1O2 21.6216
311 4OGQ 7PH 21.6216
312 4OGQ SQD 21.6216
313 5MWE TCE 22.8571
314 5LXB 7A9 23.5537
315 1FK5 OLA 23.6559
316 1YUC EPH 27.0588
317 1ZDU P3A 28.1633
318 2V0U FMN 30.137
319 5DJU FMN 30.3448
320 3GYT DL4 31.5574
321 3JZB 4HY 32.5843
322 1PZL MYR 33.3333
323 3FS1 MYR 34.3478
324 2R40 20E 35.3383
325 5E7V M7E 35.7934
326 5LGA 6VH 35.7934
327 4Q0A 4OA 35.7934
328 3KFC 61X 35.9684
329 4QJR PIZ 36.7347
330 1NRL SRL 36.9004
331 6FX0 E9T 36.9004
332 1ZDT PEF 36.9295
333 1YMT DR9 36.9919
334 3L0E G58 37.1542
335 1N46 PFA 37.2093
336 1DB1 VDX 37.4517
337 2LBD REA 37.4532
338 3KMZ EQO 37.9699
339 3VRV YSD 38.0074
340 2O4J VD4 38.0074
341 5XPL 8C9 38.0074
342 1XAP TTB 38.2022
343 5HYR EST 38.4615
344 5WGQ EST 38.4615
345 5DXE EST 38.4615
346 5DXG EST 38.4615
347 5DX3 EST 38.4615
348 4POJ 2VP 38.5281
349 4M8E 29V 38.5281
350 5NI5 8YB 39.4834
351 3FAL REA 39.8496
352 3FAL LO2 39.8496
353 6ESN BWE 40.0749
354 3OKI OKI 40.3433
355 5APK 76E 40.3774
356 5NTW 98N 40.4669
357 4WPF 3SN 40.5303
358 5X8Q 82R 40.6977
359 6A5Y 9CR 41.6667
360 6A5Y 9R0 41.6667
361 5IXK 6EW 41.6667
362 1FCZ 156 41.7021
363 5NTP 98E 42.0168
364 1DKF BMS 42.9787
365 1DKF OLA 42.9787
366 1N4H REA 45.5598
367 2YJD YJD 46.1538
368 4JMU 1ML 46.1538
369 1NQ7 ARL 48.3607
370 5WGD EST 50
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