Binding Site Information of Target

Content Navigation (  All   None )                                      
Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T86591 Target Info
Target Name Peroxisome proliferator-activated receptor alpha (PPARA)
Synonyms Peroxisome proliferater-activated receptor alpha; PPARalpha; PPAR-alpha; PPAR; Nuclear receptor subfamily 1 group C member 1; NR1C1
Target Type Successful Target
Gene Name PPARA
Biochemical Class Nuclear hormone receptor
UniProt ID
PPARA_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Icosapent Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA) co-crystals obtained by delipidation and cross-seeding PDB:6LXA
Method X-ray diffraction Resolution 1.23 Å Mutation No [1]
PDB Sequence
MTADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGKSNNPPF
239
VIHDMETLCM
249

AEKTLVAKLV
259
ANGIQNKEAE
269
VRIFHCCQCT
279
SVETVTELTE
289
FAKAIPGFAN
299

LDLNDQVTLL
309
KYGVYEAIFA
319
MLSSVMNKDG
329
MLVAYGNGFI
339
TREFLKSLRK
349

PFCDIMEPKF
359
DFAMKFNALE
369
LDDSDISLFV
379
AAIICCGDRP
389
GLLNVGHIEK
399

MQEGIVHVLR
409
LHLQSNHPDD
419
IFLFPKLLQK
429
MADLRQLVTE
439
HAQLVQIIKK
449

TESDAALHPL
459
LQEIYRDMY
Residue
Distance (Å)
ILE241
3.245
LEU247
3.678
ALA250
3.165
GLU251
2.919
LEU254
3.528
VAL255
3.359
ARG271
4.586
ILE272
2.730
PHE273
2.914
CYS275
3.365
CYS276
2.942
GLN277
3.081
THR279
2.613
SER280
2.693
TYR314
2.629
ILE317
4.902
Residue
Distance (Å)
PHE318
3.287
LEU321
3.283
MET330
3.176
LEU331
4.825
VAL332
3.009
ALA333
3.875
ILE339
3.642
LEU344
4.978
ILE354
3.877
MET355
2.994
LYS358
4.236
HIS440
2.818
VAL444
3.849
LEU460
3.596
TYR464
2.644
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Pemafibrate Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by delipidation and cross-seeding PDB:6KB4
Method X-ray diffraction Resolution 1.42 Å Mutation No [1]
PDB Sequence
MTADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGSNNPPFV
240
IHDMETLCMA
250

EKTLVAKLVA
260
NGIQNKEAEV
270
RIFHCCQCTS
280
VETVTELTEF
290
AKAIPGFANL
300

DLNDQVTLLK
310
YGVYEAIFAM
320
LSSVMNKDGM
330
LVAYGNGFIT
340
REFLKSLRKP
350

FCDIMEPKFD
360
FAMKFNALEL
370
DDSDISLFVA
380
AIICCGDRPG
390
LLNVGHIEKM
400

QEGIVHVLRL
410
HLQSNHPDDI
420
FLFPKLLQKM
430
ADLRQLVTEH
440
AQLVQIIKKT
450

ESDAALHPLL
460
QEIYRDMY
Residue
Distance (Å)
MET220
3.259
ILE241
2.791
LEU247
3.962
ALA250
3.874
GLU251
3.640
LEU254
4.853
VAL255
4.161
ILE272
3.791
PHE273
2.680
CYS275
3.619
CYS276
2.687
GLN277
3.223
THR279
2.889
SER280
2.569
THR283
3.993
TYR314
2.736
ALA316
4.941
ILE317
3.151
Residue
Distance (Å)
PHE318
3.627
MET320
3.022
LEU321
3.094
VAL324
3.221
MET330
2.943
LEU331
4.286
VAL332
3.337
ALA333
3.535
ILE339
3.766
ILE354
3.108
MET355
2.835
LYS358
3.607
HIS440
2.770
VAL444
3.378
LEU456
4.908
LEU460
3.773
TYR464
2.672
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Fenofibric acid Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-fenofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization PDB:7BQ0
Method X-ray diffraction Resolution 1.77 Å Mutation No [1]
PDB Sequence
MTADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGKASNNPP
238
FVIHDMETLC
248

MAEKTLVAKL
258
VANGIQNKEA
268
EVRIFHCCQC
278
TSVETVTELT
288
EFAKAIPGFA
298

NLDLNDQVTL
308
LKYGVYEAIF
318
AMLSSVMNKD
328
GMLVAYGNGF
338
ITREFLKSLR
348

KPFCDIMEPK
358
FDFAMKFNAL
368
ELDDSDISLF
378
VAAIICCGDR
388
PGLLNVGHIE
398

KMQEGIVHVL
408
RLHLQSNHPD
418
DIFLFPKLLQ
428
KMADLRQLVT
438
EHAQLVQIIK
448

KTESDAALHP
458
LLQEIYRDMY
468
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F5A or .F5A2 or .F5A3 or :3F5A;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:253 or .A:254 or .A:257 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:282 or .A:314 or .A:318 or .A:332 or .A:333 or .A:334 or .A:339 or .A:351 or .A:354 or .A:355 or .A:440 or .A:444 or .A:445 or .A:447 or .A:448 or .A:454 or .A:455 or .A:456 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
3.873
LEU247
3.502
ALA250
4.781
THR253
4.650
LEU254
2.918
LYS257
2.808
ILE272
3.292
PHE273
2.999
CYS275
3.337
CYS276
3.014
GLN277
3.270
THR279
2.563
SER280
2.668
GLU282
4.682
TYR314
2.671
PHE318
3.522
VAL332
4.025
Residue
Distance (Å)
ALA333
3.389
TYR334
2.803
ILE339
4.259
PHE351
3.895
ILE354
3.128
MET355
4.020
HIS440
2.819
VAL444
2.886
GLN445
4.876
ILE447
3.442
LYS448
3.179
ALA454
2.838
ALA455
2.899
LEU456
3.018
LEU460
3.715
TYR464
2.702
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Saroglitazar Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by delipidation and cross-seeding PDB:6LXC
Method X-ray diffraction Resolution 2.03 Å Mutation No [1]
PDB Sequence
MTADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGPPFVIHD
243
METLCMAEKT
253

LVANKEAEVR
271
IFHCCQCTSV
281
ETVTELTEFA
291
KAIPGFANLD
301
LNDQVTLLKY
311

GVYEAIFAML
321
SSVMNKDGML
331
VAYGNGFITR
341
EFLKSLRKPF
351
CDIMEPKFDF
361

AMKFNALELD
371
DSDISLFVAA
381
IICCGDRPGL
391
LNVGHIEKMQ
401
EGIVHVLRLH
411

LQSNHPDDIF
421
LFPKLLQKMA
431
DLRQLVTEHA
441
QLVQIIKKTE
451
SDAALHPLLQ
461

EIYRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EWR or .EWR2 or .EWR3 or :3EWR;style chemicals stick;color identity;select .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:278 or .A:279 or .A:280 or .A:282 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:333 or .A:334 or .A:339 or .A:344 or .A:354 or .A:355 or .A:358 or .A:440 or .A:444 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE272
3.014
PHE273
2.905
CYS275
3.329
CYS276
2.990
GLN277
3.658
CYS278
3.661
THR279
2.543
SER280
2.392
GLU282
4.460
TYR314
2.606
ILE317
4.315
PHE318
3.235
LEU321
4.245
MET330
2.721
Residue
Distance (Å)
LEU331
4.340
VAL332
2.916
ALA333
3.666
TYR334
3.020
ILE339
3.836
LEU344
3.384
ILE354
3.311
MET355
2.494
LYS358
4.530
HIS440
2.755
VAL444
3.650
LEU460
3.484
TYR464
2.627
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Bezafibrate Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-bezafibrate-SRC1 coactivator peptide co-crystals obtained by soaking PDB:7BPZ
Method X-ray diffraction Resolution 2.43 Å Mutation No [1]
PDB Sequence
HMTADLKSLA
207
KRIYEAYLKN
217
FNMNKVKARV
227
ILSGKASNNP
237
PFVIHDMETL
247

CMAEKTLVAK
257
QNKEAEVRIF
273
HCCQCTSVET
283
VTELTEFAKA
293
IPGFANLDLN
303

DQVTLLKYGV
313
YEAIFAMLSS
323
VMNKDGMLVA
333
YGNGFITREF
343
LKSLRKPFCD
353

IMEPKFDFAM
363
KFNALELDDS
373
DISLFVAAII
383
CCGDRPGLLN
393
VGHIEKMQEG
403

IVHVLRLHLQ
413
SNHPDDIFLF
423
PKLLQKMADL
433
RQLVTEHAQL
443
VQIIKKTESD
453

AALHPLLQEI
463
YRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PEM or .PEM2 or .PEM3 or :3PEM;style chemicals stick;color identity;select .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:354 or .A:355 or .A:440 or .A:444 or .A:456 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE272
3.831
PHE273
2.921
CYS275
3.433
CYS276
2.736
GLN277
3.226
THR279
2.560
SER280
2.460
TYR314
2.481
ILE317
3.186
PHE318
3.945
LEU321
2.947
MET330
3.657
Residue
Distance (Å)
LEU331
4.567
VAL332
3.470
ALA333
4.674
ILE339
4.021
ILE354
3.601
MET355
3.182
HIS440
2.878
VAL444
3.429
LEU456
3.833
LEU460
3.454
TYR464
2.293
Ligand Name: Sanguinarine Ligand Info
Structure Description Novel natural PPARalpha agonist with a unique binding mode PDB:7C6Q
Method X-ray diffraction Resolution 2.76 Å Mutation No [2]
PDB Sequence
TADLKSLAKR
209
IYEAYLKNFN
219
MNKVKARVIL
229
SGKASNNPPF
239
VIHDMETLCM
249

AEKTLVAKIQ
264
NKEAEVRIFH
274
CCQCTSVETV
284
TELTEFAKAI
294
PGFANLDLND
304

QVTLLKYGVY
314
EAIFAMLSSV
324
MNKDGMLVAY
334
GNGFITREFL
344
KSLRKPFCDI
354

MEPKFDFAMK
364
FNALELDDSD
374
ISLFVAAIIC
384
CGDRPGLLNV
394
GHIEKMQEGI
404

VHVLRLHLQS
414
NHPDDIFLFP
424
KLLQKMADLR
434
QLVTEHAQLV
444
QIIKKTESDA
454

ALHPLLQEIY
464
RDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SAU or .SAU2 or .SAU3 or :3SAU;style chemicals stick;color identity;select .A:247 or .A:250 or .A:251 or .A:254 or .A:255 or .A:271 or .A:272 or .A:274 or .A:275 or .A:278 or .A:279 or .A:282 or .A:333 or .A:334; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU247
3.196
ALA250
4.016
GLU251
3.020
LEU254
3.666
VAL255
3.683
ARG271
3.573
ILE272
3.990
Residue
Distance (Å)
HIS274
4.658
CYS275
2.490
CYS278
3.321
THR279
4.074
GLU282
3.939
ALA333
3.474
TYR334
2.902
Ligand Name: Tesaglitazar Ligand Info
Structure Description CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN FROM HUMAN PPAR-ALPHA IN COMPLEX WITH THE AGONIST AZ 242 PDB:1I7G
Method X-ray diffraction Resolution 2.20 Å Mutation No [3]
PDB Sequence
ETADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGSNNPPFV
240
IHDMETLCMA
250

EKTLQNKEAE
269
VRIFHCCQCT
279
SVETVTELTE
289
FAKAIPGFAN
299
LDLNDQVTLL
309

KYGVYEAIFA
319
MLSSVMNKDG
329
MLVAYGNGFI
339
TREFLKSLRK
349
PFCDIMEPKF
359

DFAMKFNALE
369
LDDSDISLFV
379
AAIICCGDRP
389
GLLNVGHIEK
399
MQEGIVHVLR
409

LHLQSNHPDD
419
IFLFPKLLQK
429
MADLRQLVTE
439
HAQLVQIIKK
449
TESDAALHPL
459

LQEIYRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AZ2 or .AZ22 or .AZ23 or :3AZ2;style chemicals stick;color identity;select .A:241 or .A:247 or .A:251 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:339 or .A:354 or .A:355 or .A:440 or .A:444 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
3.576
LEU247
3.506
GLU251
4.088
ILE272
3.910
PHE273
3.565
CYS275
3.441
CYS276
3.347
GLN277
4.010
THR279
3.876
SER280
2.681
TYR314
2.591
ILE317
4.625
Residue
Distance (Å)
PHE318
4.032
LEU321
4.064
MET330
3.488
LEU331
4.428
VAL332
3.509
ILE339
3.441
ILE354
3.733
MET355
3.595
HIS440
2.913
VAL444
3.612
LEU460
3.351
TYR464
2.449
Ligand Name: GW-409544 Ligand Info
Structure Description The 2.5 Angstrom resolution crystal structure of the human PPARalpha ligand binding domain bound with GW409544 and a co-activator peptide. PDB:1K7L
Method X-ray diffraction Resolution 2.50 Å Mutation No [4]
PDB Sequence
DLKSLAKRIY
211
EAYLKNFNMN
221
KVKARVILSG
231
KASNNPPFVI
241
HDMETLCMAE
251

KTLVAKLVAN
261
GIQNKEAEVR
271
IFHCCQCTSV
281
ETVTELTEFA
291
KAIPGFANLD
301

LNDQVTLLKY
311
GVYEAIFAML
321
SSVMNKDGML
331
VAYGNGFITR
341
EFLKSLRKPF
351

CDIMEPKFDF
361
AMKFNALELD
371
DSDISLFVAA
381
IICCGDRPGL
391
LNVGHIEKMQ
401

EGIVHVLRLH
411
LQSNHPDDIF
421
LFPKLLQKMA
431
DLRQLVTEHA
441
QLVQIIKKTE
451

SDAALHPLLQ
461
EIYRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .544 or .5442 or .5443 or :3544;style chemicals stick;color identity;select .A:241 or .A:247 or .A:251 or .A:254 or .A:269 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:339 or .A:344 or .A:347 or .A:351 or .A:354 or .A:355 or .A:440 or .A:444 or .A:456 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
4.579
LEU247
3.815
GLU251
4.716
LEU254
3.896
GLU269
3.770
ILE272
3.825
PHE273
3.398
CYS275
3.390
CYS276
3.445
GLN277
4.016
THR279
3.849
SER280
2.723
TYR314
2.692
ILE317
4.645
PHE318
3.825
Residue
Distance (Å)
LEU321
3.600
MET330
3.745
LEU331
4.062
VAL332
3.223
ILE339
4.056
LEU344
3.796
LEU347
3.785
PHE351
3.382
ILE354
3.404
MET355
3.647
HIS440
2.847
VAL444
4.135
LEU456
4.303
LEU460
4.080
TYR464
2.601
Ligand Name: Pirinixic acid Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by co-crystallization PDB:6KBA
Method X-ray diffraction Resolution 1.82 Å Mutation No [1]
PDB Sequence
DLKSLAKRIY
211
EAYLKNFNMN
221
KVKARVILSG
231
SNNPPFVIHD
243
METLCMAEKT
253

LVAKLVANGI
263
QNKEAEVRIF
273
HCCQCTSVET
283
VTELTEFAKA
293
IPGFANLDLN
303

DQVTLLKYGV
313
YEAIFAMLSS
323
VMNKDGMLVA
333
YGNGFITREF
343
LKSLRKPFCD
353

IMEPKFDFAM
363
KFNALELDDS
373
DISLFVAAII
383
CCGDRPGLLN
393
VGHIEKMQEG
403

IVHVLRLHLQ
413
SNHPDDIFLF
423
PKLLQKMADL
433
RQLVTEHAQL
443
VQIIKKTESD
453

AALHPLLQEI
463
YRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WY1 or .WY12 or .WY13 or :3WY1;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:255 or .A:258 or .A:263 or .A:266 or .A:270 or .A:271 or .A:272 or .A:273 or .A:274 or .A:275 or .A:276 or .A:277 or .A:278 or .A:279 or .A:280 or .A:283 or .A:314 or .A:317 or .A:318 or .A:321 or .A:324 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:354 or .A:355 or .A:358 or .A:440 or .A:444 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
2.877
LEU247
2.568
ALA250
4.609
GLU251
2.114
LEU254
3.393
VAL255
2.831
LEU258
3.302
ILE263
3.605
LYS266
2.704
VAL270
4.622
ARG271
2.904
ILE272
3.140
PHE273
3.254
HIS274
2.812
CYS275
3.048
CYS276
2.833
GLN277
3.174
CYS278
3.266
THR279
3.104
Residue
Distance (Å)
SER280
2.200
THR283
2.872
TYR314
2.542
ILE317
2.423
PHE318
3.897
LEU321
3.343
VAL324
4.100
MET330
2.508
LEU331
3.905
VAL332
3.330
ALA333
4.239
ILE339
3.604
ILE354
3.353
MET355
2.989
LYS358
3.274
HIS440
2.790
VAL444
3.843
LEU460
3.640
TYR464
2.594
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Indeglitazar Ligand Info
Structure Description Structure of PPARalpha with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid PDB:3ET1
Method X-ray diffraction Resolution 2.50 Å Mutation No [5]
PDB Sequence
ETADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGKASNNPP
238
FVIHDMETLC
248

MAEKTLVAQN
265
KEAEVRIFHC
275
CQCTSVETVT
285
ELTEFAKAIP
295
GFANLDLNDQ
305

VTLLKYGVYE
315
AIFAMLSSVM
325
NKDGMLVAYG
335
NGFITREFLK
345
SLRKPFCDIM
355

EPKFDFAMKF
365
NALELDDSDI
375
SLFVAAIICC
385
GDRPGLLNVG
395
HIEKMQEGIV
405

HVLRLHLQSN
415
HPDDIFLFPK
425
LLQKMADLRQ
435
LVTEHAQLVQ
445
IIKKTESDAA
455

LHPLLQEIYR
465
DMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ET1 or .ET12 or .ET13 or :3ET1;style chemicals stick;color identity;select .A:269 or .A:272 or .A:273 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:344 or .A:347 or .A:351 or .A:354 or .A:355 or .A:358 or .A:440 or .A:444 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLU269
4.692
ILE272
3.466
PHE273
3.515
CYS276
3.610
GLN277
3.323
THR279
2.937
SER280
2.545
TYR314
2.580
ILE317
4.583
PHE318
3.479
LEU321
4.415
MET330
4.043
Residue
Distance (Å)
LEU331
4.878
VAL332
4.335
LEU344
4.606
LEU347
3.768
PHE351
3.737
ILE354
3.657
MET355
3.239
LYS358
4.305
HIS440
3.758
VAL444
4.433
LEU460
3.857
TYR464
2.824
Ligand Name: Deoxy-Bigchap Ligand Info
Structure Description CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN FROM HUMAN PPAR-ALPHA IN COMPLEX WITH THE AGONIST AZ 242 PDB:1I7G
Method X-ray diffraction Resolution 2.20 Å Mutation No [3]
PDB Sequence
ETADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGSNNPPFV
240
IHDMETLCMA
250

EKTLQNKEAE
269
VRIFHCCQCT
279
SVETVTELTE
289
FAKAIPGFAN
299
LDLNDQVTLL
309

KYGVYEAIFA
319
MLSSVMNKDG
329
MLVAYGNGFI
339
TREFLKSLRK
349
PFCDIMEPKF
359

DFAMKFNALE
369
LDDSDISLFV
379
AAIICCGDRP
389
GLLNVGHIEK
399
MQEGIVHVLR
409

LHLQSNHPDD
419
IFLFPKLLQK
429
MADLRQLVTE
439
HAQLVQIIKK
449
TESDAALHPL
459

LQEIYRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CPQ or .CPQ2 or .CPQ3 or :3CPQ;style chemicals stick;color identity;select .A:203 or .A:204 or .A:207 or .A:208 or .A:211 or .A:373 or .A:407 or .A:410 or .A:411 or .A:414; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU203
4.205
LYS204
3.491
ALA207
3.902
LYS208
3.439
TYR211
3.973
Residue
Distance (Å)
SER373
3.722
VAL407
4.136
LEU410
3.594
HIS411
2.861
SER414
4.028
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: BMS-687453 Ligand Info
Structure Description Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine PDB:3KDT
Method X-ray diffraction Resolution 2.70 Å Mutation No [6]
PDB Sequence
SETADLKSLA
207
KRIYEAYLKN
217
FNMNKVKARV
227
ILSGKASNNP
237
PFVIHDMETL
247

CMAEKTLVAI
263
QNKEAEVRIF
273
HCCQCTSVET
283
VTELTEFAKA
293
IPGFANLDLN
303

DQVTLLKYGV
313
YEAIFAMLSS
323
VMNKDGMLVA
333
YGNGFITREF
343
LKSLRKPFCD
353

IMEPKFDFAM
363
KFNALELDDS
373
DISLFVAAII
383
CCGDRPGLLN
393
VGHIEKMQEG
403

IVHVLRLHLQ
413
SNHPDDIFLF
423
PKLLQKMADL
433
RQLVTEHAQL
443
VQIIKKTESD
453

AALHPLLQEI
463
YRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7HA or .7HA2 or .7HA3 or :37HA;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:255 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:440 or .A:444 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
4.407
LEU247
4.636
ALA250
4.035
GLU251
4.118
LEU254
4.737
VAL255
3.977
ILE272
3.878
PHE273
3.754
CYS275
3.636
CYS276
3.135
GLN277
4.326
THR279
3.939
SER280
2.564
TYR314
2.721
Residue
Distance (Å)
ILE317
3.684
PHE318
3.640
LEU321
3.812
MET330
3.829
VAL332
3.329
ALA333
4.634
ILE339
4.460
LEU344
4.126
ILE354
3.188
MET355
3.862
HIS440
2.944
VAL444
3.769
LEU460
3.305
TYR464
3.230
Ligand Name: Eicosatetranoic acid Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-5,8,11,14-eicosatetraynoic acid (ETYA) co-crystals obtained by soaking PDB:6KB0
Method X-ray diffraction Resolution 1.35 Å Mutation No [1]
PDB Sequence
DLKSLAKRIY
211
EAYLKNFNMN
221
KVKARVILSG
231
NNPPFVIHDM
244
ETLCMAEKTL
254

VAKLVANGIQ
264
NKEAEVRIFH
274
CCQCTSVETV
284
TELTEFAKAI
294
PGFANLDLND
304

QVTLLKYGVY
314
EAIFAMLSSV
324
MNKDGMLVAY
334
GNGFITREFL
344
KSLRKPFCDI
354

MEPKFDFAMK
364
FNALELDDSD
374
ISLFVAAIIC
384
CGDRPGLLNV
394
GHIEKMQEGI
404

VHVLRLHLQS
414
NHPDDIFLFP
424
KLLQKMADLR
434
QLVTEHAQLV
444
QIIKKTESDA
454

ALHPLLQEIY
464
RDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ITY or .ITY2 or .ITY3 or :3ITY;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:255 or .A:271 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:358 or .A:440 or .A:444 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
3.154
LEU247
3.424
ALA250
3.098
GLU251
3.214
LEU254
2.821
VAL255
2.924
ARG271
4.666
ILE272
3.512
PHE273
3.146
CYS275
3.221
CYS276
2.599
GLN277
3.295
THR279
3.029
SER280
2.593
TYR314
2.583
ILE317
3.149
Residue
Distance (Å)
PHE318
3.579
LEU321
3.864
MET330
3.048
LEU331
3.798
VAL332
3.358
ALA333
3.917
ILE339
3.254
LEU344
3.768
ILE354
3.412
MET355
3.835
LYS358
4.260
HIS440
2.810
VAL444
4.090
LEU460
3.675
TYR464
2.900
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Arachidonic acid Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-arachidonic acid co-crystals obtained by delipidation and cross-seeding PDB:6LX9
Method X-ray diffraction Resolution 1.40 Å Mutation No [1]
PDB Sequence
MTADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGKASNNPP
238
FVIHDMETLC
248

MAEKTLVAKL
258
VANGIQNKEA
268
EVRIFHCCQC
278
TSVETVTELT
288
EFAKAIPGFA
298

NLDLNDQVTL
308
LKYGVYEAIF
318
AMLSSVMNKD
328
GMLVAYGNGF
338
ITREFLKSLR
348

KPFCDIMEPK
358
FDFAMKFNAL
368
ELDDSDISLF
378
VAAIICCGDR
388
PGLLNVGHIE
398

KMQEGIVHVL
408
RLHLQSNHPD
418
DIFLFPKLLQ
428
KMADLRQLVT
438
EHAQLVQIIK
448

KTESDAALHP
458
LLQEIYRDMY
468
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ACD or .ACD2 or .ACD3 or :3ACD;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:255 or .A:271 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:358 or .A:440 or .A:444 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
2.882
LEU247
3.523
ALA250
3.282
GLU251
3.616
LEU254
3.211
VAL255
3.191
ARG271
4.523
ILE272
2.700
PHE273
2.901
CYS275
3.289
CYS276
2.869
GLN277
3.111
THR279
2.636
SER280
2.683
TYR314
2.644
Residue
Distance (Å)
PHE318
3.180
LEU321
3.341
MET330
3.278
LEU331
4.656
VAL332
3.181
ALA333
3.921
ILE339
2.971
LEU344
4.970
ILE354
3.779
MET355
3.035
LYS358
4.402
HIS440
2.755
VAL444
3.868
LEU460
3.590
TYR464
2.619
Ligand Name: Stearic acid Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-stearic acid co-crystals obtained by delipidation and cross-seeding PDB:6LX7
Method X-ray diffraction Resolution 1.41 Å Mutation No [1]
PDB Sequence
MTADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGSNNPPFV
240
IHDMETLCMA
250

EKTLVAKLVA
260
NGIQNKEAEV
270
RIFHCCQCTS
280
VETVTELTEF
290
AKAIPGFANL
300

DLNDQVTLLK
310
YGVYEAIFAM
320
LSSVMNKDGM
330
LVAYGNGFIT
340
REFLKSLRKP
350

FCDIMEPKFD
360
FAMKFNALEL
370
DDSDISLFVA
380
AIICCGDRPG
390
LLNVGHIEKM
400

QEGIVHVLRL
410
HLQSNHPDDI
420
FLFPKLLQKM
430
ADLRQLVTEH
440
AQLVQIIKKT
450

ESDAALHPLL
460
QEIYRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .STE or .STE2 or .STE3 or :3STE;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:255 or .A:271 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:358 or .A:440 or .A:444 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
3.152
LEU247
3.511
ALA250
3.324
GLU251
3.417
LEU254
3.523
VAL255
3.476
ARG271
4.949
ILE272
3.060
PHE273
2.931
CYS275
3.114
CYS276
2.945
GLN277
3.101
THR279
3.077
SER280
2.699
TYR314
2.599
ILE317
4.298
Residue
Distance (Å)
PHE318
3.529
LEU321
3.367
MET330
3.239
LEU331
4.938
VAL332
2.884
ALA333
3.979
ILE339
3.671
LEU344
4.471
ILE354
3.320
MET355
3.111
LYS358
4.294
HIS440
2.797
VAL444
3.811
LEU460
3.568
TYR464
2.592
Ligand Name: GW7647 Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-GW7647 co-crystals obtained by delipidation and cross-seeding PDB:6KB3
Method X-ray diffraction Resolution 1.45 Å Mutation No [1]
PDB Sequence
MTADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGPFVIHDM
244
ETLCMAEKTL
254

VAKLVAKEAE
269
VRIFHCCQCT
279
SVETVTELTE
289
FAKAIPGFAN
299
LDLNDQVTLL
309

KYGVYEAIFA
319
MLSSVMNKDG
329
MLVAYGNGFI
339
TREFLKSLRK
349
PFCDIMEPKF
359

DFAMKFNALE
369
LDDSDISLFV
379
AAIICCGDRP
389
GLLNVGHIEK
399
MQEGIVHVLR
409

LHLQSNHPDD
419
IFLFPKLLQK
429
MADLRQLVTE
439
HAQLVQIIKK
449
TESDAALHPL
459

LQEIYRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2VN or .2VN2 or .2VN3 or :32VN;style chemicals stick;color identity;select .A:219 or .A:220 or .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:255 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:283 or .A:286 or .A:314 or .A:316 or .A:317 or .A:318 or .A:320 or .A:321 or .A:324 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:354 or .A:355 or .A:440 or .A:444 or .A:456 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ASN219
4.046
MET220
4.830
ILE241
3.339
LEU247
3.072
ALA250
4.100
GLU251
3.904
LEU254
4.078
VAL255
3.962
ILE272
3.547
PHE273
2.674
CYS275
3.099
CYS276
2.850
GLN277
3.025
THR279
2.687
SER280
2.808
THR283
2.766
GLU286
4.500
TYR314
2.579
Residue
Distance (Å)
ALA316
4.887
ILE317
3.155
PHE318
4.200
MET320
3.758
LEU321
3.319
VAL324
4.679
MET330
3.197
LEU331
4.308
VAL332
3.063
ALA333
3.460
ILE339
3.707
ILE354
3.394
MET355
3.258
HIS440
2.832
VAL444
3.006
LEU456
3.251
LEU460
3.623
TYR464
2.346
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Oleic acid Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-oleic acid co-crystals obtained by delipidation and cross-seeding PDB:6LX8
Method X-ray diffraction Resolution 1.54 Å Mutation No [1]
PDB Sequence
DLKSLAKRIY
211
EAYLKNFNMN
221
KVKARVILSG
231
NNPPFVIHDM
244
ETLCMAEKTL
254

VAKLVANGIQ
264
NKEAEVRIFH
274
CCQCTSVETV
284
TELTEFAKAI
294
PGFANLDLND
304

QVTLLKYGVY
314
EAIFAMLSSV
324
MNKDGMLVAY
334
GNGFITREFL
344
KSLRKPFCDI
354

MEPKFDFAMK
364
FNALELDDSD
374
ISLFVAAIIC
384
CGDRPGLLNV
394
GHIEKMQEGI
404

VHVLRLHLQS
414
NHPDDIFLFP
424
KLLQKMADLR
434
QLVTEHAQLV
444
QIIKKTESDA
454

ALHPLLQEIY
464
RDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OLA or .OLA2 or .OLA3 or :3OLA;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:255 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:358 or .A:440 or .A:444 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
3.161
LEU247
3.441
ALA250
3.810
GLU251
3.506
LEU254
3.959
VAL255
3.379
ILE272
3.236
PHE273
3.142
CYS275
3.164
CYS276
2.867
GLN277
3.232
THR279
3.080
SER280
2.696
TYR314
2.600
ILE317
4.179
Residue
Distance (Å)
PHE318
3.282
LEU321
2.813
MET330
3.451
LEU331
4.440
VAL332
2.893
ALA333
4.317
ILE339
3.425
LEU344
4.275
ILE354
3.762
MET355
2.832
LYS358
4.619
HIS440
2.864
VAL444
3.891
LEU460
3.643
TYR464
2.654
Ligand Name: Fibrates Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-clofibric acid-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization PDB:7BPY
Method X-ray diffraction Resolution 2.09 Å Mutation No [1]
PDB Sequence
HMTADLKSLA
207
KRIYEAYLKN
217
FNMNKVKARV
227
ILSGKASNNP
237
PFVIHDMETL
247

CMAEKTLVAK
257
LVANGIQNKE
267
AEVRIFHCCQ
277
CTSVETVTEL
287
TEFAKAIPGF
297

ANLDLNDQVT
307
LLKYGVYEAI
317
FAMLSSVMNK
327
DGMLVAYGNG
337
FITREFLKSL
347

RKPFCDIMEP
357
KFDFAMKFNA
367
LELDDSDISL
377
FVAAIICCGD
387
RPGLLNVGHI
397

EKMQEGIVHV
407
LRLHLQSNHP
417
DDIFLFPKLL
427
QKMADLRQLV
437
TEHAQLVQII
447

KKTESDAALH
457
PLLQEIYRDM
467
Y
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E0O or .E0O2 or .E0O3 or :3E0O;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:271 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:318 or .A:332 or .A:333 or .A:334 or .A:339 or .A:351 or .A:354 or .A:355 or .A:440 or .A:444 or .A:447 or .A:454 or .A:455 or .A:456 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
2.502
LEU247
3.595
ALA250
4.523
GLU251
4.629
LEU254
3.163
ARG271
4.424
ILE272
3.425
PHE273
3.495
CYS275
3.383
CYS276
3.022
GLN277
3.260
THR279
2.298
SER280
2.587
TYR314
2.560
PHE318
3.561
Residue
Distance (Å)
VAL332
2.427
ALA333
3.729
TYR334
3.661
ILE339
2.967
PHE351
4.530
ILE354
2.883
MET355
3.978
HIS440
2.823
VAL444
4.262
ILE447
3.719
ALA454
4.192
ALA455
4.665
LEU456
2.586
LEU460
3.790
TYR464
2.517
Ligand Name: 2-chloro-5-nitro-N-phenylbenzamide Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-GW9662-gemfibrozil co-crystals obtained by delipidation and co-crystallization PDB:6L38
Method X-ray diffraction Resolution 2.76 Å Mutation No [1]
PDB Sequence
MTADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGKASNNPP
238
FVIHDMETLC
248

MAEKTLVAKL
258
VANGIQNKEA
268
EVRIFHCCQC
278
TSVETVTELT
288
EFAKAIPGFA
298

NLDLNDQVTL
308
LKYGVYEAIF
318
AMLSSVMNKD
328
GMLVAYGNGF
338
ITREFLKSLR
348

KPFCDIMEPK
358
FDFAMKFNAL
368
ELDDSDISLF
378
VAAIICCGDR
388
PGLLNVGHIE
398

KMQEGIVHVL
408
RLHLQSNHPD
418
DIFLFPKLLQ
428
KMADLRQLVT
438
EHAQLVQIIK
448

KTESDAALHP
458
LLQEIYRDMY
468
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GW9 or .GW92 or .GW93 or :3GW9;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:257 or .A:258 or .A:261 or .A:263 or .A:272 or .A:274 or .A:275 or .A:276 or .A:277 or .A:278 or .A:279 or .A:321 or .A:324 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:455 or .A:456 or .A:457 or .A:458; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
3.187
LEU247
2.926
ALA250
3.650
GLU251
4.590
LEU254
3.011
LYS257
3.229
LEU258
2.810
ASN261
2.443
ILE263
4.888
ILE272
4.062
HIS274
2.555
CYS275
3.823
CYS276
1.804
GLN277
3.714
Residue
Distance (Å)
CYS278
1.796
THR279
3.451
LEU321
3.634
VAL324
4.916
MET330
3.549
LEU331
3.725
VAL332
2.917
ALA333
3.899
ILE339
4.342
ALA455
3.887
LEU456
3.705
HIS457
3.433
PRO458
3.583
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Aleglitazar Ligand Info
Structure Description Aleglitazar, a new, potent, and balanced PPAR alpha/gamma agonist for the treatment of type II diabetes PDB:3G8I
Method X-ray diffraction Resolution 2.20 Å Mutation No [7]
PDB Sequence
DLKSLAKRIY
211
EAYLKNFNMN
221
KVKARVILSP
237
PFVIHDMETL
247
CMAEKTLVAK
257

LKEAEVRIFH
274
CCQCTSVETV
284
TELTEFAKAI
294
PGFANLDLND
304
QVTLLKYGVY
314

EAIFAMLSSV
324
MNKDGMLVAY
334
GNGFITREFL
344
KSLRKPFCDI
354
MEPKFDFAMK
364

FNALELDDSD
374
ISLFVAAIIC
384
CGDRPGLLNV
394
GHIEKMQEGI
404
VHVLRLHLQS
414

NHPDDIFLFP
424
KLLQKMADLR
434
QLVTEHAQLV
444
QIIKKTESDA
454
ALHPLLQEIY
464

RDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RO7 or .RO72 or .RO73 or :3RO7;style chemicals stick;color identity;select .A:241 or .A:247 or .A:251 or .A:255 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:358 or .A:440 or .A:444 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
4.481
LEU247
3.535
GLU251
4.793
VAL255
3.489
ILE272
4.038
PHE273
3.330
CYS275
3.912
CYS276
3.339
GLN277
3.955
THR279
4.001
SER280
2.779
TYR314
2.682
PHE318
3.954
LEU321
3.711
Residue
Distance (Å)
MET330
3.737
LEU331
3.898
VAL332
3.062
ALA333
4.986
ILE339
3.717
LEU344
3.865
ILE354
3.548
MET355
3.490
LYS358
3.823
HIS440
2.654
VAL444
3.882
LEU460
3.545
TYR464
2.610
Ligand Name: Iloprost R-isomer Ligand Info
Structure Description Structural basis for iloprost as a dual PPARalpha/delta agonist PDB:3SP6
Method X-ray diffraction Resolution 2.21 Å Mutation No [8]
PDB Sequence
EDSETADLKS
205
LAKRIYEAYL
215
KNFNMNKVKA
225
RVILSGKASN
235
NPPFVIHDME
245

TLCMAEKTLV
255
AKLVANNKEA
268
EVRIFHCCQC
278
TSVETVTELT
288
EFAKAIPGFA
298

NLDLNDQVTL
308
LKYGVYEAIF
318
AMLSSVMNKD
328
GMLVAYGNGF
338
ITREFLKSLR
348

KPFCDIMEPK
358
FDFAMKFNAL
368
ELDDSDISLF
378
VAAIICCGDR
388
PGLLNVGHIE
398

KMQEGIVHVL
408
RLHLQSNHPD
418
DIFLFPKLLQ
428
KMADLRQLVT
438
EHAQLVQIIK
448

KTESDAALHP
458
LLQEIYRDMY
468
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IL2 or .IL22 or .IL23 or :3IL2;style chemicals stick;color identity;select .A:241 or .A:247 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:283 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:332 or .A:333 or .A:339 or .A:354 or .A:355 or .A:440 or .A:444 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
4.604
LEU247
4.166
ILE272
4.167
PHE273
3.307
CYS275
3.795
CYS276
3.437
GLN277
3.601
THR279
3.247
SER280
2.464
THR283
4.934
TYR314
2.424
ILE317
3.564
Residue
Distance (Å)
PHE318
3.617
LEU321
4.045
MET330
4.367
VAL332
3.899
ALA333
4.867
ILE339
4.472
ILE354
3.615
MET355
3.480
HIS440
3.147
VAL444
3.955
LEU460
4.002
TYR464
2.593
Ligand Name: N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-[(4-methylphenoxy)carbonyl]glycine Ligand Info
Structure Description Crystal structure of peroxisome proliferator-activatedeceptor alpha (PPARalpha) complex with N-3-((2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl)methoxy)benzyl)-N-((4-methylphenoxy)carbonyl)glycine PDB:3KDU
Method X-ray diffraction Resolution 2.07 Å Mutation No [6]
PDB Sequence
SETADLKSLA
207
KRIYEAYLKN
217
FNMNKVKARV
227
ILSGKASNNP
237
PFVIHDMETL
247

CMAEKTLVAI
263
QNKEAEVRIF
273
HCCQCTSVET
283
VTELTEFAKA
293
IPGFANLDLN
303

DQVTLLKYGV
313
YEAIFAMLSS
323
VMNKDGMLVA
333
YGNGFITREF
343
LKSLRKPFCD
353

IMEPKFDFAM
363
KFNALELDDS
373
DISLFVAAII
383
CCGDRPGLLN
393
VGHIEKMQEG
403

IVHVLRLHLQ
413
SNHPDDIFLF
423
PKLLQKMADL
433
RQLVTEHAQL
443
VQIIKKTESD
453

AALHPLLQEI
463
YRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NKS or .NKS2 or .NKS3 or :3NKS;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:255 or .A:269 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:332 or .A:333 or .A:339 or .A:344 or .A:347 or .A:351 or .A:354 or .A:355 or .A:440 or .A:444 or .A:447 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
3.917
LEU247
3.697
ALA250
3.751
GLU251
3.823
VAL255
4.150
GLU269
4.189
ILE272
3.684
PHE273
3.297
CYS275
3.802
CYS276
3.244
GLN277
4.079
THR279
4.056
SER280
2.682
TYR314
2.450
ILE317
3.879
PHE318
4.030
Residue
Distance (Å)
LEU321
3.832
MET330
3.657
VAL332
3.341
ALA333
4.748
ILE339
3.720
LEU344
4.247
LEU347
3.866
PHE351
3.839
ILE354
3.453
MET355
3.487
HIS440
2.675
VAL444
4.192
ILE447
4.899
LEU460
3.616
TYR464
2.701
Ligand Name: (2s,3s)-1-(4-Methoxyphenyl)-3-(3-(2-(5-Methyl-2-Phenyloxazol-4-Yl)ethoxy)benzyl)-4-Oxoazetidine-2-Carboxylic Acid Ligand Info
Structure Description Crystal Structure of PPARalpha ligand binding domain with BMS-631707 PDB:2REW
Method X-ray diffraction Resolution 2.35 Å Mutation No [9]
PDB Sequence
ETADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGPPFVIHD
243
METLCMAEKT
253

LQNKEAEVRI
272
FHCCQCTSVE
282
TVTELTEFAK
292
AIPGFANLDL
302
NDQVTLLKYG
312

VYEAIFAMLS
322
SVMNKDGMLV
332
AYGNGFITRE
342
FLKSLRKPFC
352
DIMEPKFDFA
362

MKFNALELDD
372
SDISLFVAAI
382
ICCGDRPGLL
392
NVGHIEKMQE
402
GIVHVLRLHL
412

QSNHPDDIFL
422
FPKLLQKMAD
432
LRQLVTEHAQ
442
LVQIIKKTES
452
DAALHPLLQE
462

IYRDM
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .REW or .REW2 or .REW3 or :3REW;style chemicals stick;color identity;select .A:241 or .A:247 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:440 or .A:444 or .A:447 or .A:448 or .A:454 or .A:455 or .A:456 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
4.483
LEU247
4.049
ILE272
4.057
PHE273
3.254
CYS275
3.632
CYS276
3.220
GLN277
3.566
THR279
4.121
SER280
2.884
TYR314
2.333
ILE317
3.740
PHE318
4.216
LEU321
3.797
MET330
3.427
LEU331
4.117
Residue
Distance (Å)
VAL332
2.972
ALA333
4.676
ILE339
3.978
LEU344
4.266
ILE354
3.148
MET355
4.003
HIS440
2.748
VAL444
3.826
ILE447
3.533
LYS448
4.121
ALA454
3.709
ALA455
3.958
LEU456
3.554
LEU460
3.533
TYR464
2.535
Ligand Name: 2-Methyl-2-[4-[2-[4-[(E)-Phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic Acid Ligand Info
Structure Description Structural basis for GL479 a dual Peroxisome Proliferator-Activated Receptor alpha agonist PDB:4CI4
Method X-ray diffraction Resolution 2.30 Å Mutation No [10]
PDB Sequence
KSLAKRIYEA
213
YLKNFNMNKV
223
KARVILSPPF
239
VIHDMETLCM
249
AEKTLVKEAE
269

VRIFHCCQCT
279
SVETVTELTE
289
FAKAIPGFAN
299
LDLNDQVTLL
309
KYGVYEAIFA
319

MLSSVMNKDG
329
MLVAYGNGFI
339
TREFLKSLRK
349
PFCDIMEPKF
359
DFAMKFNALE
369

LDDSDISLFV
379
AAIICCGDRP
389
GLLNVGHIEK
399
MQEGIVHVLR
409
LHLQSNHPDD
419

IFLFPKLLQK
429
MADLRQLVTE
439
HAQLVQIIKK
449
TESDAALHPL
459
LQEIYRDM
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Y1N or .Y1N2 or .Y1N3 or :3Y1N;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:255 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:332 or .A:333 or .A:339 or .A:354 or .A:355 or .A:440 or .A:444 or .A:456 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
4.957
LEU247
3.716
ALA250
4.571
GLU251
4.403
VAL255
4.021
ILE272
4.471
PHE273
3.688
CYS275
3.864
CYS276
3.146
GLN277
3.545
THR279
3.686
SER280
2.525
TYR314
2.715
ILE317
4.526
Residue
Distance (Å)
PHE318
3.651
LEU321
3.662
MET330
3.769
VAL332
3.272
ALA333
4.394
ILE339
4.749
ILE354
3.919
MET355
3.539
HIS440
2.816
VAL444
3.698
LEU456
4.188
LEU460
3.477
TYR464
2.283
Ligand Name: Tetradecylthioacetic acid Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-tetradecylthioacetic acid (TTA) co-crystals obtained by soaking PDB:6KB1
Method X-ray diffraction Resolution 1.25 Å Mutation No [1]
PDB Sequence
MTADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGKSNNPPF
239
VIHDMETLCM
249

AEKTLVAKLV
259
ANGIQNKEAE
269
VRIFHCCQCT
279
SVETVTELTE
289
FAKAIPGFAN
299

LDLNDQVTLL
309
KYGVYEAIFA
319
MLSSVMNKDG
329
MLVAYGNGFI
339
TREFLKSLRK
349

PFCDIMEPKF
359
DFAMKFNALE
369
LDDSDISLFV
379
AAIICCGDRP
389
GLLNVGHIEK
399

MQEGIVHVLR
409
LHLQSNHPDD
419
IFLFPKLLQK
429
MADLRQLVTE
439
HAQLVQIIKK
449

TESDAALHPL
459
LQEIYRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T4T or .T4T2 or .T4T3 or :3T4T;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:255 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:358 or .A:440 or .A:444 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
3.510
LEU247
3.599
ALA250
4.159
GLU251
3.678
LEU254
4.267
VAL255
3.443
ILE272
3.456
PHE273
2.738
CYS275
3.352
CYS276
2.731
GLN277
2.988
THR279
2.986
SER280
2.707
TYR314
2.610
ILE317
4.063
Residue
Distance (Å)
PHE318
3.335
LEU321
3.279
MET330
2.740
LEU331
4.970
VAL332
2.775
ALA333
4.451
ILE339
3.679
LEU344
4.660
ILE354
3.980
MET355
2.832
LYS358
4.589
HIS440
2.837
VAL444
3.861
LEU460
3.589
TYR464
2.702
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: (2S)-2-[[3-[[3-fluoranyl-4-(4-fluoranylphenoxy)phenyl]methylcarbamoyl]-4-methoxy-phenyl]methyl]butanoic acid Ligand Info
Structure Description HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH APHM6 OBTAINED BY SOAKING PDB:7E5I
Method X-ray diffraction Resolution 1.58 Å Mutation No [11]
PDB Sequence
TADLKSLAKR
209
IYEAYLKNFN
219
MNKVKARVIL
229
SGNPPFVIHD
243
METLCMAEKT
253

LVAKLVANGI
263
QNKEAEVRIF
273
HCCQCTSVET
283
VTELTEFAKA
293
IPGFANLDLN
303

DQVTLLKYGV
313
YEAIFAMLSS
323
VMNKDGMLVA
333
YGNGFITREF
343
LKSLRKPFCD
353

IMEPKFDFAM
363
KFNALELDDS
373
DISLFVAAII
383
CCGDRPGLLN
393
VGHIEKMQEG
403

IVHVLRLHLQ
413
SNHPDDIFLF
423
PKLLQKMADL
433
RQLVTEHAQL
443
VQIIKKTESD
453

AALHPLLQEI
463
YRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HW3 or .HW32 or .HW33 or :3HW3;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:255 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:318 or .A:321 or .A:325 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:358 or .A:359 or .A:440 or .A:444 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
3.805
LEU247
3.817
ALA250
3.556
GLU251
3.822
LEU254
4.149
VAL255
3.987
ILE272
3.986
PHE273
3.494
CYS275
3.049
CYS276
3.588
GLN277
3.756
THR279
3.525
SER280
2.642
TYR314
2.615
PHE318
3.749
LEU321
3.643
Residue
Distance (Å)
MET325
3.812
MET330
3.384
LEU331
4.581
VAL332
3.443
ALA333
4.615
ILE339
4.207
LEU344
4.707
ILE354
3.811
MET355
3.711
LYS358
4.022
PHE359
4.300
HIS440
2.750
VAL444
4.158
LEU460
3.771
TYR464
2.831
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: (2S)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid Ligand Info
Structure Description HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH YN4pai OBTAINED BY SOAKING PDB:7E5G
Method X-ray diffraction Resolution 1.66 Å Mutation No [11]
PDB Sequence
TADLKSLAKR
209
IYEAYLKNFN
219
MNKVKARVIL
229
SGNPPFVIHD
243
METLCMAEKT
253

LVAKLVANGI
263
QNKEAEVRIF
273
HCCQCTSVET
283
VTELTEFAKA
293
IPGFANLDLN
303

DQVTLLKYGV
313
YEAIFAMLSS
323
VMNKDGMLVA
333
YGNGFITREF
343
LKSLRKPFCD
353

IMEPKFDFAM
363
KFNALELDDS
373
DISLFVAAII
383
CCGDRPGLLN
393
VGHIEKMQEG
403

IVHVLRLHLQ
413
SNHPDDIFLF
423
PKLLQKMADL
433
RQLVTEHAQL
443
VQIIKKTESD
453

AALHPLLQEI
463
YRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HVX or .HVX2 or .HVX3 or :3HVX;style chemicals stick;color identity;select .A:241 or .A:247 or .A:251 or .A:254 or .A:255 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:318 or .A:321 or .A:325 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:358 or .A:359 or .A:440 or .A:444 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
4.041
LEU247
3.672
GLU251
4.482
LEU254
4.198
VAL255
3.731
ILE272
3.929
PHE273
3.441
CYS275
3.758
CYS276
3.445
GLN277
3.834
THR279
3.320
SER280
2.621
TYR314
2.561
PHE318
4.116
LEU321
4.126
Residue
Distance (Å)
MET325
3.910
MET330
3.237
LEU331
4.985
VAL332
3.513
ALA333
3.603
ILE339
3.573
LEU344
4.473
ILE354
3.636
MET355
3.314
LYS358
3.361
PHE359
4.062
HIS440
2.751
VAL444
4.021
LEU460
3.860
TYR464
2.704
Ligand Name: (2s)-2-(4-Methoxy-3-{[(Pyren-1-Ylcarbonyl)amino]methyl}benzyl)butanoic Acid Ligand Info
Structure Description Human PPAR alpha ligand binding domain in complex with a synthetic agonist APHM13 PDB:3VI8
Method X-ray diffraction Resolution 1.75 Å Mutation No [12]
PDB Sequence
DLKSLAKRIY
211
EAYLKNFNMN
221
KVKARVILSP
238
FVIHDMETLC
248
MAEKTLVAKL
258

VANGNKEAEV
270
RIFHCCQCTS
280
VETVTELTEF
290
AKAIPGFANL
300
DLNDQVTLLK
310

YGVYEAIFAM
320
LSSVMNKDGM
330
LVAYGNGFIT
340
REFLKSLRKP
350
FCDIMEPKFD
360

FAMKFNALEL
370
DDSDISLFVA
380
AIICCGDRPG
390
LLNVGHIEKM
400
QEGIVHVLRL
410

HLQSNHPDDI
420
FLFPKLLQKM
430
ADLRQLVTEH
440
AQLVQIIKKT
450
ESDAALHPLL
460

QEIYRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .13M or .13M2 or .13M3 or :313M;style chemicals stick;color identity;select .A:241 or .A:247 or .A:251 or .A:254 or .A:255 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:318 or .A:321 or .A:325 or .A:330 or .A:331 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:358 or .A:359 or .A:440 or .A:444 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
4.090
LEU247
3.742
GLU251
4.532
LEU254
4.253
VAL255
3.867
ILE272
3.857
PHE273
3.458
CYS275
3.772
CYS276
3.403
GLN277
3.762
THR279
3.453
SER280
2.536
TYR314
2.688
PHE318
3.775
LEU321
3.819
Residue
Distance (Å)
MET325
4.244
MET330
3.564
LEU331
4.886
VAL332
3.504
ALA333
3.527
ILE339
3.564
LEU344
4.524
ILE354
3.844
MET355
3.597
LYS358
4.336
PHE359
4.885
HIS440
2.699
VAL444
4.116
LEU460
3.618
TYR464
2.699
Ligand Name: (2s)-2-(4-Propoxy-3-{[({4-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic Acid Ligand Info
Structure Description HUMAN PPAR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH TIPP703 OBTAINED BY SOAKING PDB:7E5F
Method X-ray diffraction Resolution 1.79 Å Mutation No [11]
PDB Sequence
TADLKSLAKR
209
IYEAYLKNFN
219
MNKVKARVIL
229
SGPPFVIHDM
244
ETLCMAEKTL
254

VAKLVANGIQ
264
NKEAEVRIFH
274
CCQCTSVETV
284
TELTEFAKAI
294
PGFANLDLND
304

QVTLLKYGVY
314
EAIFAMLSSV
324
MNKDGMLVAY
334
GNGFITREFL
344
KSLRKPFCDI
354

MEPKFDFAMK
364
FNALELDDSD
374
ISLFVAAIIC
384
CGDRPGLLNV
394
GHIEKMQEGI
404

VHVLRLHLQS
414
NHPDDIFLFP
424
KLLQKMADLR
434
QLVTEHAQLV
444
QIIKKTESDA
454

ALHPLLQEIY
464
RDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S44 or .S442 or .S443 or :3S44;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:255 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:318 or .A:321 or .A:325 or .A:330 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:356 or .A:358 or .A:359 or .A:440 or .A:444 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
3.715
LEU247
3.616
ALA250
4.139
GLU251
3.706
LEU254
3.910
VAL255
3.831
ILE272
4.697
PHE273
3.476
CYS275
3.957
CYS276
3.571
GLN277
3.664
THR279
3.255
SER280
2.663
TYR314
2.617
PHE318
3.904
LEU321
3.842
Residue
Distance (Å)
MET325
3.531
MET330
3.440
VAL332
3.437
ALA333
3.988
ILE339
4.697
LEU344
4.117
ILE354
3.882
MET355
3.233
GLU356
4.889
LYS358
4.042
PHE359
3.302
HIS440
2.838
VAL444
4.278
LEU460
3.754
TYR464
2.640
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Ciprofibrate, (S)- Ligand Info
Structure Description X-ray structure of human PPARalpha ligand binding domain-ciprofibrate co-crystals obtained by delipidation and co-crystallization PDB:6LX5
Method X-ray diffraction Resolution 1.87 Å Mutation No [1]
PDB Sequence
GSHMTADLKS
205
LAKRIYEAYL
215
KNFNMNKVKA
225
RVILSGKASN
235
NPPFVIHDME
245

TLCMAEKTLV
255
AKLVANGIQN
265
KEAEVRIFHC
275
CQCTSVETVT
285
ELTEFAKAIP
295

GFANLDLNDQ
305
VTLLKYGVYE
315
AIFAMLSSVM
325
NKDGMLVAYG
335
NGFITREFLK
345

SLRKPFCDIM
355
EPKFDFAMKF
365
NALELDDSDI
375
SLFVAAIICC
385
GDRPGLLNVG
395

HIEKMQEGIV
405
HVLRLHLQSN
415
HPDDIFLFPK
425
LLQKMADLRQ
435
LVTEHAQLVQ
445

IIKKTESDAA
455
LHPLLQEIYR
465
DMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C5F or .C5F2 or .C5F3 or :3C5F;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:257 or .A:271 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:282 or .A:314 or .A:318 or .A:332 or .A:333 or .A:334 or .A:339 or .A:351 or .A:354 or .A:355 or .A:358 or .A:440 or .A:444 or .A:447 or .A:448 or .A:454 or .A:455 or .A:456 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
3.104
LEU247
4.227
ALA250
4.345
GLU251
4.936
LEU254
2.701
LYS257
2.475
ARG271
4.737
ILE272
3.491
PHE273
2.923
CYS275
3.532
CYS276
3.003
GLN277
2.570
THR279
2.824
SER280
2.666
GLU282
3.599
TYR314
2.510
PHE318
3.433
Residue
Distance (Å)
VAL332
3.463
ALA333
3.577
TYR334
3.076
ILE339
3.295
PHE351
3.347
ILE354
3.078
MET355
3.750
LYS358
4.971
HIS440
2.661
VAL444
3.449
ILE447
3.315
LYS448
3.728
ALA454
2.713
ALA455
3.292
LEU456
2.849
LEU460
3.928
TYR464
2.488
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: 2-Methyl-2-[4-(Naphthalen-1-Yl)phenoxy]propanoic Acid Ligand Info
Structure Description Crystal structure of the complex PPARalpha/AL26-29 PDB:5HYK
Method X-ray diffraction Resolution 1.83 Å Mutation No [13]
PDB Sequence
DLKSLAKRIY
211
EAYLKNFNMN
221
KVKARVILSP
238
FVIHDMETLC
248
MAEKTLVAKL
258

VNKEAEVRIF
273
HCCQCTSVET
283
VTELTEFAKA
293
IPGFANLDLN
303
DQVTLLKYGV
313

YEAIFAMLSS
323
VMNKDGMLVA
333
YGNGFITREF
343
LKSLRKPFCD
353
IMEPKFDFAM
363

KFNALELDDS
373
DISLFVAAII
383
CCGDRPGLLN
393
VGHIEKMQEG
403
IVHVLRLHLQ
413

SNHPDDIFLF
423
PKLLQKMADL
433
RQLVTEHAQL
443
VQIIKKTESD
453
AALHPLLQEI
463

YRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .65W or .65W2 or .65W3 or :365W;style chemicals stick;color identity;select .A:270 or .A:273 or .A:274 or .A:276 or .A:277 or .A:280 or .A:314 or .A:318 or .A:354 or .A:355 or .A:440 or .A:444 or .A:447 or .A:448 or .A:451 or .A:454 or .A:455 or .A:456 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL270
4.636
PHE273
3.706
HIS274
4.271
CYS276
3.715
GLN277
3.548
SER280
2.537
TYR314
2.665
PHE318
3.872
ILE354
3.666
MET355
3.731
Residue
Distance (Å)
HIS440
2.785
VAL444
3.043
ILE447
3.429
LYS448
3.155
GLU451
4.380
ALA454
3.364
ALA455
3.784
LEU456
3.606
LEU460
3.601
TYR464
2.704
Ligand Name: 1-(4-Chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Ligand Info
Structure Description Human PPAR alpha ligand binding domain in complex with a synthetic agonist (compound A) PDB:6KXX
Method X-ray diffraction Resolution 1.95 Å Mutation No [14]
PDB Sequence
SLAKRIYEAY
214
LKNFNMNKVK
224
ARVILSGKAS
234
NNPPFVIHDM
244
ETLCMAEKTL
254

VAKLVANGIQ
264
NKEAEVRIFH
274
CCQCTSVETV
284
TELTEFAKAI
294
PGFANLDLND
304

QVTLLKYGVY
314
EAIFAMLSSV
324
MNKDGMLVAY
334
GNGFITREFL
344
KSLRKPFCDI
354

MEPKFDFAMK
364
FNALELDDSD
374
ISLFVAAIIC
384
CGDRPGLLNV
394
GHIEKMQEGI
404

VHVLRLHLQS
414
NHPDDIFLFP
424
KLLQKMADLR
434
QLVTEHAQLV
444
QIIKKTESDA
454

ALHPLLQEIY
464
RDM
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T02 or .T022 or .T023 or :3T02;style chemicals stick;color identity;select .A:269 or .A:272 or .A:273 or .A:276 or .A:277 or .A:280 or .A:314 or .A:318 or .A:321 or .A:330 or .A:344 or .A:347 or .A:351 or .A:354 or .A:355 or .A:440 or .A:444 or .A:447 or .A:456 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLU269
3.738
ILE272
3.597
PHE273
3.449
CYS276
3.469
GLN277
3.743
SER280
2.810
TYR314
2.513
PHE318
4.241
LEU321
3.727
MET330
4.806
LEU344
4.012
Residue
Distance (Å)
LEU347
3.287
PHE351
3.705
ILE354
3.510
MET355
3.656
HIS440
2.577
VAL444
3.774
ILE447
4.205
LEU456
3.681
LEU460
3.924
TYR464
2.591
Ligand Name: 6-Ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Ligand Info
Structure Description Human PPAR alpha ligand binding domain in complex with a synthetic agonist (compound B) PDB:6KXY
Method X-ray diffraction Resolution 2.00 Å Mutation No [14]
PDB Sequence
SLAKRIYEAY
214
LKNFNMNKVK
224
ARVILSGKNP
237
PFVIHDMETL
247
CMAEKTLVAQ
264

NKEAEVRIFH
274
CCQCTSVETV
284
TELTEFAKAI
294
PGFANLDLND
304
QVTLLKYGVY
314

EAIFAMLSSV
324
MNKDGMLVAY
334
GNGFITREFL
344
KSLRKPFCDI
354
MEPKFDFAMK
364

FNALELDDSD
374
ISLFVAAIIC
384
CGDRPGLLNV
394
GHIEKMQEGI
404
VHVLRLHLQS
414

NHPDDIFLFP
424
KLLQKMADLR
434
QLVTEHAQLV
444
QIIKKTESDA
454
ALHPLLQEIY
464

RDM
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T06 or .T062 or .T063 or :3T06;style chemicals stick;color identity;select .A:269 or .A:272 or .A:273 or .A:276 or .A:277 or .A:280 or .A:314 or .A:318 or .A:321 or .A:330 or .A:344 or .A:347 or .A:351 or .A:354 or .A:355 or .A:440 or .A:443 or .A:444 or .A:447 or .A:456 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLU269
4.147
ILE272
3.337
PHE273
3.334
CYS276
3.324
GLN277
3.289
SER280
2.867
TYR314
2.376
PHE318
4.471
LEU321
4.148
MET330
4.539
LEU344
3.514
Residue
Distance (Å)
LEU347
3.000
PHE351
3.958
ILE354
3.585
MET355
3.444
HIS440
2.483
LEU443
4.243
VAL444
3.599
ILE447
3.822
LEU456
3.621
LEU460
3.717
TYR464
2.604
Ligand Name: (2r,3e)-2-{4-[(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)methoxy]benzyl}-3-(Propoxyimino)butanoic Acid Ligand Info
Structure Description the crystal structure of the human PPARaplpha ligand binding domain in complex with a a-hydroxyimino phenylpropanoic acid PDB:2NPA
Method X-ray diffraction Resolution 2.30 Å Mutation No [15]
PDB Sequence
ETADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGAASNNPP
238
FVIHDMETLC
248

MAEKTLVAKL
258
VANGIQNKEA
268
EVRIFHCCQC
278
TSVETVTELT
288
EFAKAIPGFA
298

NLDLNDQVTL
308
LKYGVYEAIF
318
AMLSSVMNKD
328
GMLVAYGNGF
338
ITREFLKSLR
348

KPFCDIMEPK
358
FDFAMKFNAL
368
ELDDSDISLF
378
VAAIICCGDR
388
PGLLNVGHIE
398

KMQEGIVHVL
408
RLHLQSNHPD
418
DIFLFPKLLQ
428
KMADLRQLVT
438
EHAQLVQIIK
448

KTESDAALHP
458
LLQEIYRDM
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MMB or .MMB2 or .MMB3 or :3MMB;style chemicals stick;color identity;select .A:241 or .A:247 or .A:254 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:331 or .A:332 or .A:339 or .A:344 or .A:347 or .A:351 or .A:354 or .A:355 or .A:440 or .A:444 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
4.694
LEU247
4.127
LEU254
3.899
ILE272
3.655
PHE273
3.276
CYS275
3.554
CYS276
3.308
GLN277
3.642
THR279
3.910
SER280
2.879
TYR314
2.526
ILE317
4.916
PHE318
4.455
LEU321
3.670
Residue
Distance (Å)
MET330
3.752
LEU331
4.472
VAL332
3.354
ILE339
3.976
LEU344
4.122
LEU347
4.438
PHE351
4.158
ILE354
3.518
MET355
3.495
HIS440
2.704
VAL444
4.358
LEU460
3.847
TYR464
2.682
Ligand Name: GW 6471 Ligand Info
Structure Description Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif PDB:1KKQ
Method X-ray diffraction Resolution 3.00 Å Mutation No [16]
PDB Sequence
TADLKSLAKR
209
IYEAYLKNFN
219
MNKVKARVIL
229
SGKASNNPPF
239
VIHDMETLCM
249

AEKTLVAKLV
259
ANGIQNKEAE
269
VRIFHCCQCT
279
SVETVTELTE
289
FAKAIPGFAN
299

LDLNDQVTLL
309
KYGVYEAIFA
319
MLSSVMNKDG
329
MLVAYGNGFI
339
TREFLKSLRK
349

PFCDIMEPKF
359
DFAMKFNALE
369
LDDSDISLFV
379
AAIICCGDRP
389
GLLNVGHIEK
399

MQEGIVHVLR
409
LHLQSNHPDD
419
IFLFPKLLQK
429
MADLRQLVTE
439
HAQLVQIIKK
449

TESDAALHPL
459
LQEIYRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .471 or .4712 or .4713 or :3471;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:269 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:332 or .A:333 or .A:339 or .A:344 or .A:347 or .A:351 or .A:352 or .A:354 or .A:355 or .A:440 or .A:444 or .A:456; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
4.030
LEU247
4.052
ALA250
4.348
GLU251
4.330
LEU254
3.159
GLU269
2.843
ILE272
3.313
PHE273
3.666
CYS275
3.328
CYS276
3.398
GLN277
3.702
THR279
4.666
SER280
3.297
TYR314
3.336
ILE317
4.318
Residue
Distance (Å)
PHE318
4.302
LEU321
4.157
MET330
4.125
VAL332
3.330
ALA333
4.742
ILE339
4.315
LEU344
4.214
LEU347
3.760
PHE351
3.330
CYS352
4.976
ILE354
3.625
MET355
4.309
HIS440
3.444
VAL444
3.641
LEU456
3.364
Ligand Name: (4~{z},7~{z},10~{z},13~{z},19~{z})-17-Oxidanylidenedocosa-4,7,10,13,19-Pentaenoic Acid Ligand Info
Structure Description Ternary complex of hPPARalpha ligand binding domain, 17-oxoDHA and a SRC1 peptide PDB:5AZT
Method X-ray diffraction Resolution 3.45 Å Mutation Yes [17]
PDB Sequence
KSLAKRIYEA
213
YLKNFNMNKV
223
KARVILSNNP
237
PFVIHDMETL
247
CMAEKTLVAK
257

LVANGIQNKE
267
AEVRIFHCCQ
277
CTSVETVTEL
287
TEFAKAIPGF
297
ANLDLNDQVT
307

LLKYGVYEAI
317
FAMLSSVMNK
327
DGMLVAYGNG
337
FITREFLKSL
347
RKPFCDIMEP
357

KFDFAMKFNA
367
LELDDSDISL
377
FVAAIICCGD
387
RPGLLNVGHI
397
EKMQEGIVHV
407

LRLHLQSNHP
417
DDIFLLPKLL
427
QKMADLRQLV
437
TEHAQLVQII
447
KKTESDAALH
457

PLLQEIYRDM
467
Y
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4M5 or .4M52 or .4M53 or :34M5;style chemicals stick;color identity;select .A:239 or .A:241 or .A:247 or .A:250 or .A:251 or .A:256 or .A:260 or .A:271 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:321 or .A:330 or .A:332 or .A:333 or .A:336 or .A:337 or .A:338 or .A:440 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE239
4.182
ILE241
3.784
LEU247
4.319
ALA250
3.819
GLU251
3.230
ALA256
3.934
ALA260
4.417
ARG271
4.823
ILE272
4.452
PHE273
4.158
CYS275
1.785
CYS276
3.263
GLN277
4.386
Residue
Distance (Å)
THR279
3.521
SER280
3.243
TYR314
3.139
LEU321
4.572
MET330
3.998
VAL332
3.759
ALA333
3.642
ASN336
4.153
GLY337
3.377
PHE338
4.847
HIS440
3.176
LEU460
4.542
TYR464
2.840
Ligand Name: 2-Methyl-2-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamido)methyl)phenoxy)propanoic acid Ligand Info
Structure Description a crystal structure of PPAR alpha bound with SRC1 peptide and GW735 PDB:2P54
Method X-ray diffraction Resolution 1.79 Å Mutation No [18]
PDB Sequence
DLKSLAKRIY
211
EAYLKNFNMN
221
KVKARVILSG
231
KASNNPPFVI
241
HDMETLCMAE
251

KTLVAKLVAN
261
GIQNKEAEVR
271
IFHCCQCTSV
281
ETVTELTEFA
291
KAIPGFANLD
301

LNDQVTLLKY
311
GVYEAIFAML
321
SSVMNKDGML
331
VAYGNGFITR
341
EFLKSLRKPF
351

CDIMEPKFDF
361
AMKFNALELD
371
DSDISLFVAA
381
IICCGDRPGL
391
LNVGHIEKMQ
401

EGIVHVLRLH
411
LQSNHPDDIF
421
LFPKLLQKMA
431
DLRQLVTEHA
441
QLVQIIKKTE
451

SDAALHPLLQ
461
EIYRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .735 or .7352 or .7353 or :3735;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:254 or .A:255 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:358 or .A:440 or .A:444 or .A:456 or .A:460 or .A:464; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
3.413
LEU247
3.436
ALA250
3.894
GLU251
3.629
LEU254
4.028
VAL255
3.386
ILE272
3.727
PHE273
2.782
CYS275
3.729
CYS276
2.936
GLN277
2.978
THR279
3.416
SER280
2.871
TYR314
2.528
ILE317
3.847
Residue
Distance (Å)
PHE318
3.653
LEU321
3.138
MET330
3.275
VAL332
3.317
ALA333
3.518
ILE339
3.282
LEU344
3.125
ILE354
3.305
MET355
2.904
LYS358
4.995
HIS440
2.796
VAL444
2.922
LEU456
3.484
LEU460
3.489
TYR464
2.559
Ligand Name: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid Ligand Info
Structure Description Design and biological evaluation of novel, balanced dual PPARa/g agonists PDB:3FEI
Method X-ray diffraction Resolution 2.40 Å Mutation No [19]
PDB Sequence
DLKSLAKRIY
211
EAYLKNFNMN
221
KVKARVILSP
238
FVIHDMETLC
248
MAEKEAEVRI
272

FHCCQCTSVE
282
TVTELTEFAK
292
AIPGFANLDL
302
NDQVTLLKYG
312
VYEAIFAMLS
322

SVMNKDGMLV
332
AYGNGFITRE
342
FLKSLRKPFC
352
DIMEPKFDFA
362
MKFNALELDD
372

SDISLFVAAI
382
ICCGDRPGLL
392
NVGHIEKMQE
402
GIVHVLRLHL
412
QSNHPDDIFL
422

FPKLLQKMAD
432
LRQLVTEHAQ
442
LVQIIKKTES
452
DAALHPLLQE
462
IYRDMY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CTM or .CTM2 or .CTM3 or :3CTM;style chemicals stick;color identity;select .A:241 or .A:247 or .A:250 or .A:251 or .A:272 or .A:273 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:314 or .A:317 or .A:318 or .A:321 or .A:330 or .A:332 or .A:333 or .A:339 or .A:344 or .A:354 or .A:355 or .A:358 or .A:440 or .A:444 or .A:460 or .A:464; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE241
4.100
LEU247
3.957
ALA250
4.113
GLU251
4.536
ILE272
4.388
PHE273
3.504
CYS275
3.764
CYS276
3.128
GLN277
4.203
THR279
4.108
SER280
2.725
TYR314
2.487
ILE317
4.837
PHE318
3.314
Residue
Distance (Å)
LEU321
3.915
MET330
2.699
VAL332
3.394
ALA333
4.879
ILE339
3.911
LEU344
4.698
ILE354
4.140
MET355
2.780
LYS358
3.962
HIS440
2.776
VAL444
3.826
LEU460
3.281
TYR464
2.655
References  Top
REF 1 PPARAlpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. iScience. 2020 Oct 23;23(11):101727.
REF 2 Structural Basis for PPARs Activation by The Dual PPARAlpha/Gamma Agonist Sanguinarine: A Unique Mode of Ligand Recognition. Molecules. 2021 Oct 3;26(19):6012.
REF 3 Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family. Structure. 2001 Aug;9(8):699-706.
REF 4 Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors. Proc Natl Acad Sci U S A. 2001 Nov 20;98(24):13919-24.
REF 5 Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent. Proc Natl Acad Sci U S A. 2009 Jan 6;106(1):262-7.
REF 6 Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol... J Med Chem. 2010 Apr 8;53(7):2854-64.
REF 7 Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes. Bioorg Med Chem Lett. 2009 May 1;19(9):2468-73.
REF 8 Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist. J Biol Chem. 2011 Sep 9;286(36):31473-9.
REF 9 Discovery of Azetidinone Acids as Conformationally-Constrained Dual (alpha/gamma) PPAR Activators
REF 10 Different binding and recognition modes of GL479, a dual agonist of Peroxisome Proliferator-Activated Receptor Alpha/Gamma. J Struct Biol. 2015 Sep;191(3):332-40.
REF 11 Crystal Structures of the Human Peroxisome Proliferator-Activated Receptor (PPAR)Alpha Ligand-Binding Domain in Complexes with a Series of Phenylpropanoic Acid Derivatives Generated by a Ligand-Exchange Soaking Method. Biol Pharm Bull. 2021;44(9):1202-1209.
REF 12 Peroxisome proliferator-activated receptors (PPARs) have multiple binding points that accommodate ligands in various conformations: phenylpropanoic acid-type PPAR ligands bind to PPAR in different conformations, depending on the subtype. J Med Chem. 2012 Jan 26;55(2):893-902.
REF 13 Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode. Sci Rep. 2016 Oct 6;6:34792.
REF 14 Structural Basis for PPARAlpha Activation by 1H-pyrazolo-[3,4-b]pyridine Derivatives. Sci Rep. 2020 May 6;10(1):7623.
REF 15 Design and synthesis of oxime ethers of alpha-acyl-beta-phenylpropanoic acids as PPAR dual agonists. Bioorg Med Chem Lett. 2007 Feb 15;17(4):937-41.
REF 16 Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPARalpha. Nature. 2002 Feb 14;415(6873):813-7.
REF 17 17-OxoDHA Is a PPARAlpha/Gamma Dual Covalent Modifier and Agonist. ACS Chem Biol. 2016 Sep 16;11(9):2447-55.
REF 18 Substituted 2-[(4-aminomethyl)phenoxy]-2-methylpropionic acid PPARalpha agonists. 1. Discovery of a novel series of potent HDLc raising agents. J Med Chem. 2007 Feb 22;50(4):685-95.
REF 19 Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists. ChemMedChem. 2009 Jun;4(6):951-6.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.