Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T01318 | Target Info | |||
| Target Name | Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase) | ||||
| Synonyms | PFF0160c; Mitochondrially bound dihydroorotate-ubiqui oxidoreductase; Dihydroorotate oxidase of Plasmodium falciparum; Dihydroorotate dehydrogenase of Plasmodium falciparum; DHOdehase of Plasmodium falciparum; DHODase; DHODH of Plasmodium falciparum; DHOD | ||||
| Target Type | Successful Target | ||||
| Gene Name | Malaria DHOdehase | ||||
| Biochemical Class | CH-CH donor oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | flavin mononucleotide | Ligand Info | |||
| Canonical SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O | ||||
| InChI | 1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 | ||||
| InChIKey | FVTCRASFADXXNN-SCRDCRAPSA-N | ||||
| PubChem Compound ID | 643976 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1TV5 Plasmodium falciparum dihydroorotate dehydrogenase with a bound inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
FESYNPEFFL
167 YDIFLKFCLK177 YIDGEICHDL187 FLLLGKYNIL197 PYDTSNDSIY207 ACTNIKHLDF 217 INPFGVAAGF227 DKNGVCIDSI237 LKLGFSFIEI247 GTITPRGQTG257 NAKPRIFRDV 267 ESRSIINSCG277 FNNMGCDKVT287 ENLILFRKRQ297 EEDKLLSKHI307 VGVSIGKNKD 317 TVNIVDDLKY327 CINKIGRYAD337 YIAINVSSPN347 TPGLRDNQEA357 GKLKNIILSV 367 KEEIDNLEFL415 WFNTTKKKPL425 VFVKLAPDLN435 QEQKKEIADV445 LLETNIDGMI 455 ISNTTTQIND465 IKSFENKKGG475 VSGAKLKDIS485 TKFICEMYNY495 TNKQIPIIAS 505 GGIFSGLDAL515 EKIEAGASVC525 QLYSCLVFNG535 MKSAVQIKRE545 LNHLLYQRGY 555 YNLKEAIGRK565 H
|
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|
|
ALA224
3.043
ALA225
2.700
GLY226
3.101
LYS229
2.823
GLU246
4.566
GLY248
3.371
THR249
2.630
ILE263
3.499
ILE272
3.699
ASN274
3.326
CYS276
3.899
PHE278
4.470
SER311
3.986
ASN342
3.009
LYS429
2.658
|
|||||
| PDB ID: 6VTY Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM483 | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [2] |
| PDB Sequence |
ADPFESYNPE
164 FFLYDIFLKF174 CLKYIDGEIC184 HDLFLLLGKY194 NILPYDTSND204 SIYACTNIKH 214 LDFINPFGVA224 AGFDKNGVCI234 DSILKLGFSF244 IEIGTITPRG254 QTGNAKPRIF 264 RDVESRSIIN274 SCGFNNMGCD284 KVTENLILFR294 KRQEEDKLLS304 KHIVGVSIGK 314 NKDTVNIVDD324 LKYCINKIGR334 YADYIAINVS344 SPNTPGLRDN354 QEAGKLKNII 364 LSVKEEIDNL374 EKNNFLWFNT419 TKKKPLVFVK429 LAPDLNQEQK439 KEIADVLLET 449 NIDGMIISNT459 TTQINDIKSF469 ENKKGGVSGA479 KLKDISTKFI489 CEMYNYTNKQ 499 IPIIASGGIF509 SGLDALEKIE519 AGASVCQLYS529 CLVFNGMKSA539 VQIKRELNHL 549 LYQRGYYNLK559 EAIGRKH
|
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|
|
ALA224
1.990
ALA225
2.673
GLY226
2.294
LYS229
2.557
GLU246
4.626
GLY248
3.989
THR249
1.806
ILE263
2.586
ILE272
2.818
ILE273
4.853
ASN274
2.505
CYS276
2.609
PHE278
3.390
SER311
3.123
ASN342
2.308
LYS429
1.919
SER457
3.250
|
|||||
| PDB ID: 3I65 Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM1 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
SYNPEFFLYD
169 IFLKFCLKYI179 DGEICHDLFL189 LLGKYNILPY199 DTSNDSIYAC209 TNIKHLDFIN 219 PFGVAAGFDK229 NGVCIDSILK239 LGFSFIEIGT249 ITPRGQTGNA259 KPRIFRDVES 269 RSIINSCGFN279 NMGCDKVTEN289 LILFRKRQEE299 DKLLSKHIVG309 VSIGKNKDTV 319 NIVDDLKYCI329 NKIGRYADYI339 AINVSSPNEA357 GKLKNIILSV367 KEEIDNLEKN 377 NIMNDEFLWF417 NTTKKKPLVF427 VKLAPDLNQE437 QKKEIADVLL447 ETNIDGMIIS 457 NTTTQINDIK467 SFENKKGGVS477 GAKLKDISTK487 FICEMYNYTN497 KQIPIIASGG 507 IFSGLDALEK517 IEAGASVCQL527 YSCLVFNGMK537 SAVQIKRELN547 HLLYQRGYYN 557 LKEAIGRKHS567
|
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|
|
ALA224
3.288
ALA225
2.697
GLY226
3.082
LYS229
2.747
GLU246
4.651
GLY248
3.748
THR249
2.824
ILE263
3.830
ILE272
4.118
ASN274
3.380
CYS276
3.757
PHE278
4.624
SER311
4.016
ASN342
3.047
LYS429
2.761
|
|||||
| PDB ID: 3O8A Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with novel Inhibitor Genz667348 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
YNPEFFLYDI
170 FLKFCLKYID180 GEICHDLFLL190 LGKYNILPYD200 TSNDSIYACT210 NIKHLDFINP 220 FGVAAGFDKN230 GVCIDSILKL240 GFSFIEIGTI250 TPRGQTGNAK260 PRIFRDVESR 270 SIINSCGFNN280 MGCDKVTENL290 ILFRKRQEED300 KLLSKHIVGV310 SIGKNKDTVN 320 IVDDLKYCIN330 KIGRYADYIA340 INVSSPNTPG350 LRDNQEAGKL360 KNIILSVKEE 370 IDNLEKNNIM380 NDEFLWFNTT420 KKKPLVFVKL430 APDLNQEQKK440 EIADVLLETN 450 IDGMIISNTT460 TQINDIKSFE470 NKKGGVSGAK480 LKDISTKFIC490 EMYNYTNKQI 500 PIIASGGIFS510 GLDALEKIEA520 GASVCQLYSC530 LVFNGMKSAV540 QIKRELNHLL 550 YQRGYYNLKE560 AIGRK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
3.362
ALA225
2.594
GLY226
3.044
LYS229
3.329
GLU246
4.711
GLY248
3.846
THR249
2.705
ILE263
3.965
ILE272
3.888
ASN274
3.266
CYS276
4.014
PHE278
4.322
SER311
3.993
ASN342
3.138
LYS429
2.864
|
|||||
| PDB ID: 3I68 Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM2 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [3] |
| PDB Sequence |
ESYNPEFFLY
168 DIFLKFCLKY178 IDGEICHDLF188 LLLGKYNILP198 YDTSNDSIYA208 CTNIKHLDFI 218 NPFGVAAGFD228 KNGVCIDSIL238 KLGFSFIEIG248 TITPRGQTGN258 AKPRIFRDVE 268 SRSIINSCGF278 NNMGCDKVTE288 NLILFRKRQE298 EDKLLSKHIV308 GVSIGKNKDT 318 VNIVDDLKYC328 INKIGRYADY338 IAINVSSPNT348 PGLRDNQEAG358 KLKNIILSVK 368 EEIDNLEKNN378 IMNDEFLWFN418 TTKKKPLVFV428 KLAPDLNQEQ438 KKEIADVLLE 448 TNIDGMIISN458 TTTQINDIKS468 FENKKGGVSG478 AKLKDISTKF488 ICEMYNYTNK 498 QIPIIASGGI508 FSGLDALEKI518 EAGASVCQLY528 SCLVFNGMKS538 AVQIKRELNH 548 LLYQRGYYNL558 KEAIGRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
3.367
ALA225
2.715
GLY226
3.053
LYS229
3.221
GLU246
4.681
GLY248
3.812
THR249
2.814
ILE263
3.778
ILE272
3.917
ASN274
3.395
CYS276
3.912
PHE278
4.410
SER311
4.111
ASN342
3.235
LYS429
2.864
|
|||||
| PDB ID: 3I6R Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [3] |
| PDB Sequence |
YNPEFFLYDI
170 FLKFCLKYID180 GEICHDLFLL190 LGKYNILPYD200 TSNDSIYACT210 NIKHLDFINP 220 FGVAAGFDKN230 GVCIDSILKL240 GFSFIEIGTI250 TPRGQTGNAK260 PRIFRDVESR 270 SIINSCGFNN280 MGCDKVTENL290 ILFRKRQEED300 KLLSKHIVGV310 SIGKNKDTVN 320 IVDDLKYCIN330 KIGRYADYIA340 INVSSPNTPG350 LRDNQEAGKL360 KNIILSVKEE 370 IDNLEKNNIM380 NDEFLWFNTT420 KKKPLVFVKL430 APDLNQEQKK440 EIADVLLETN 450 IDGMIISNTT460 TQINDIKSFE470 NKKGGVSGAK480 LKDISTKFIC490 EMYNYTNKQI 500 PIIASGGIFS510 GLDALEKIEA520 GASVCQLYSC530 LVFNGMKSAV540 QIKRELNHLL 550 YQRGYYNLKE560 AIGRKH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
3.329
ALA225
2.579
GLY226
3.060
LYS229
3.349
GLU246
4.621
GLY248
3.826
THR249
2.715
ILE263
4.021
ILE272
3.958
ASN274
3.496
CYS276
4.208
PHE278
4.320
SER311
4.011
ASN342
3.547
LYS429
2.806
|
|||||
| PDB ID: 5BOO Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [5] |
| PDB Sequence |
NPEFFLYDIF
171 LKFCLKYIDG181 EICHDLFLLL191 GKYNILPYDT201 SNDSIYACTN211 IKHLDFINPF 221 GVAAGFDKNG231 VCIDSILKLG241 FSFIEIGTIT251 PRGQTGNAKP261 RIFRDVESRS 271 IINSCGFNNM281 GCDKVTENLI291 LFRKRQEEDK301 LLSKHIVGVS311 IGKNKDTVNI 321 VDDLKYCINK331 IGRYADYIAI341 NVSSPNTPGL351 RDNQEAGKLK361 NIILSVKEEI 371 DNLEKNNIMN381 DEFLWFNTTK421 KKPLVFVKLA431 PDLNQEQKKE441 IADVLLETNI 451 DGMIISNTTT461 QINDIKSFEN471 KKGGVSGAKL481 KDISTKFICE491 MYNYTNKQIP 501 IIASGGIFSG511 LDALEKIEAG521 ASVCQLYSCL531 VFNGMKSAVQ541 IKRELNHLLY 551 QRGYYNLKEA561 IGRK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:509 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
2.050
ALA225
2.707
GLY226
2.324
LYS229
2.420
GLU246
4.664
GLY248
4.067
THR249
1.740
ILE263
2.653
ILE272
2.963
ILE273
4.552
ASN274
2.466
CYS276
2.665
PHE278
3.099
SER311
3.380
ASN342
3.466
LYS429
1.832
|
|||||
| PDB ID: 6I4B Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) co-crystallized with 3-Hydroxy-1-methyl-5-((3-(trifluoromethyl)phenoxy)methyl)-1H-pyrazole-4-carboxylic acid | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [6] |
| PDB Sequence |
MFESYNPEFF
166 LYDIFLKFCL176 KYIDGEICHD186 LFLLLGKYNI196 LPYDTSNDSI206 YACTNIKHLD 216 FINPFGVAAG226 FDKNGVCIDS236 ILKLGFSFIE246 IGTITPRGQT256 GNAKPRIFRD 266 VESRSIINSC276 GFNNMGCDKV286 TENLILFRKR296 QEEDKLLSKH306 IVGVSIGKNK 316 DTVNIVDDLK326 YCINKIGRYA336 DYIAINVSSP346 NTPGLRDNQE356 AGKLKNIILS 366 VKEEIDNLEK376 NNIMNDEFLW416 FNTTKKKPLV426 FVKLAPDLNQ436 EQKKEIADVL 446 LETNIDGMII456 SNTTTQINDI466 KSFENKKGGV476 SGAKLKDIST486 KFICEMYNYT 496 NKQIPIIASG506 GIFSGLDALE516 KIEAGASVCQ526 LYSCLVFNGM536 KSAVQIKREL 546 NHLLYQRGYY556 NLKEAIGRKH566 S
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
3.271
ALA225
2.620
GLY226
3.080
LYS229
2.816
GLU246
4.658
GLY248
3.711
THR249
2.623
ILE263
3.605
ILE272
4.074
ASN274
3.582
CYS276
3.857
PHE278
4.245
SER311
3.864
ASN342
2.914
LYS429
2.894
|
|||||
| PDB ID: 7L01 Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM782 (N-(1-(5-cyano-1H-pyrazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide) | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [7] |
| PDB Sequence |
ESYNPEFFLY
168 DIFLKFCLKY178 IDGEICHDLF188 LLLGKYNILP198 YDTSNDSIYA208 CTNIKHLDFI 218 NPFGVAAGFD228 KNGVCIDSIL238 KLGFSFIEIG248 TITPRGQTGN258 AKPRIFRDVE 268 SRSIINSCGF278 NNMGCDKVTE288 NLILFRKRQE298 EDKLLSKHIV308 GVSIGKNKDT 318 VNIVDDLKYC328 INKIGRYADY338 IAINVSSPNT348 PGLRDNQEAG358 KLKNIILSVK 368 EEIDNLEKNF414 LWFNTTKKKP424 LVFVKLAPDL434 NQEQKKEIAD444 VLLETNIDGM 454 IISNTTTQIN464 DIKSFENKKG474 GVSGAKLKDI484 STKFICEMYN494 YTNKQIPIIA 504 SGGIFSGLDA514 LEKIEAGASV524 CQLYSCLVFN534 GMKSAVQIKR544 ELNHLLYQRG 554 YYNLKEAIGR564 KH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:476 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:532; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
1.985
ALA225
2.677
GLY226
2.385
LYS229
2.308
GLU246
4.594
GLY248
3.907
THR249
1.757
ILE263
2.352
ILE272
2.829
ILE273
4.744
ASN274
2.557
CYS276
2.365
PHE278
3.441
SER311
2.934
ASN342
2.353
LYS429
1.981
SER457
3.327
|
|||||
| PDB ID: 7KZ4 Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM705 (N-(1-(1H-1,2,4-triazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide) | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [7] |
| PDB Sequence |
ESYNPEFFLY
168 DIFLKFCLKY178 IDGEICHDLF188 LLLGKYNILP198 YDTSNDSIYA208 CTNIKHLDFI 218 NPFGVAAGFD228 KNGVCIDSIL238 KLGFSFIEIG248 TITPRGQTGN258 AKPRIFRDVE 268 SRSIINSCGF278 NNMGCDKVTE288 NLILFRKRQE298 EDKLLSKHIV308 GVSIGKNKDT 318 VNIVDDLKYC328 INKIGRYADY338 IAINVSSPNT348 PGLRDNQEAG358 KLKNIILSVK 368 EEIDNLEKNN378 IMNDEFLWFN418 TTKKKPLVFV428 KLAPDLNQEQ438 KKEIADVLLE 448 TNIDGMIISN458 TTTQINDIKS468 FENKKGGVSG478 AKLKDISTKF488 ICEMYNYTNK 498 QIPIIASGGI508 FSGLDALEKI518 EAGASVCQLY528 SCLVFNGMKS538 AVQIKRELNH 548 LLYQRGYYNL558 KEAIGRKH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:476 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:532; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ALA224
2.056
ALA225
2.686
GLY226
2.416
LYS229
2.207
GLU246
4.599
GLY248
3.943
THR249
1.821
ILE263
2.454
ILE272
2.832
ILE273
4.824
ASN274
2.423
CYS276
2.584
PHE278
3.571
SER311
3.000
ASN342
2.366
LYS429
2.002
SER457
3.253
|
|||||
| PDB ID: 7KZY Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM778 (3-methyl-N-(1-(5-methyl-1H-pyrazol-3-yl)ethyl)-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide) | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [7] |
| PDB Sequence |
HHHAENESYN
162 PEFFLYDIFL172 KFCLKYIDGE182 ICHDLFLLLG192 KYNILPYDTS202 NDSIYACTNI 212 KHLDFINPFG222 VAAGFDKNGV232 CIDSILKLGF242 SFIEIGTITP252 RGQTGNAKPR 262 IFRDVESRSI272 INSCGFNNMG282 CDKVTENLIL292 FRKRQEEDKL302 LSKHIVGVSI 312 GKNKDTVNIV322 DDLKYCINKI332 GRYADYIAIN342 VSSPNTPGLR352 DNQEAGKLKN 362 IILSVKEEID372 NLEKNNIMND382 EFLWFNTTKK422 KPLVFVKLAP432 DLNQEQKKEI 442 ADVLLETNID452 GMIISNTTTQ462 INDIKSFENK472 KGGVSGAKLK482 DISTKFICEM 492 YNYTNKQIPI502 IASGGIFSGL512 DALEKIEAGA522 SVCQLYSCLV532 FNGMKSAVQI 542 KRELNHLLYQ552 RGYYNLKEAI562 GRKH
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:476 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:509 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:532; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ALA224
2.010
ALA225
2.645
GLY226
2.340
LYS229
2.287
GLU246
4.632
GLY248
3.979
THR249
1.775
ILE263
2.491
ILE272
2.863
ILE273
4.758
ASN274
2.323
CYS276
2.413
PHE278
3.340
SER311
2.961
ASN342
2.331
LYS429
2.017
SER457
2.743
|
|||||
| PDB ID: 7L0K Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM784 (3-(1-(3-methyl-4-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-pyrrole-2-carboxamido)ethyl)-1H-pyrazole-5-carboxamide) | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [7] |
| PDB Sequence |
PFESYNPEFF
166 LYDIFLKFCL176 KYIDGEICHD186 LFLLLGKYNI196 LPYDTSNDSI206 YACTNIKHLD 216 FINPFGVAAG226 FDKNGVCIDS236 ILKLGFSFIE246 IGTITPRGQT256 GNAKPRIFRD 266 VESRSIINSC276 GFNNMGCDKV286 TENLILFRKR296 QEEDKLLSKH306 IVGVSIGKNK 316 DTVNIVDDLK326 YCINKIGRYA336 DYIAINVSSP346 NTPGLRDNQE356 AGKLKNIILS 366 VKEEIDNLEK376 NNIMNDEFLW416 FNTTKKKPLV426 FVKLAPDLNQ436 EQKKEIADVL 446 LETNIDGMII456 SNTTTQINDI466 KSFENKKGGV476 SGAKLKDIST486 KFICEMYNYT 496 NKQIPIIASG506 GIFSGLDALE516 KIEAGASVCQ526 LYSCLVFNGM536 KSAVQIKREL 546 NHLLYQRGYY556 NLKEAIGRKH566 S
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:476 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:532; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
1.935
ALA225
2.624
GLY226
2.325
LYS229
2.227
GLU246
4.687
GLY248
4.002
THR249
1.782
ILE263
2.554
ILE272
2.945
ASN274
2.678
CYS276
2.631
PHE278
3.377
SER311
3.513
ASN342
2.236
LYS429
1.915
SER457
3.380
|
|||||
| PDB ID: 4CQ8 Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with Genz-669178 | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [8] |
| PDB Sequence |
ADPFESYNPE
164 FFLYDIFLKF174 CLKYIDGEIC184 HDLFLLLGKY194 NILPYDTSND204 SIYACTNIKH 214 LDFINPFGVA224 AGFDKNGVCI234 DSILKLGFSF244 IEIGTITPRG254 QTGNAKPRIF 264 RDVESRSIIN274 SCGFNNMGCD284 KVTENLILFR294 KRQEEDKLLS304 KHIVGVSIGK 314 NKDTVNIVDD324 LKYCINKIGR334 YADYIAINVS344 SPNTPGLRDN354 QEAGKLKNII 364 LSVKEEIDNL374 EKNNFLWFNT419 TKKKPLVFVK429 LAPDLNQEQK439 KEIADVLLET 449 NIDGMIISNT459 TTQINDIKSF469 ENKKGGVSGA479 KLKDISTKFI489 CEMYNYTNKQ 499 IPIIASGGIF509 SGLDALEKIE519 AGASVCQLYS529 CLVFNGMKSA539 VQIKRELNHL 549 LYQRGYYNLK559 EAIGRKHS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
3.206
ALA225
2.715
GLY226
3.277
LYS229
2.923
GLU246
4.477
GLY248
3.901
THR249
2.814
ILE263
3.871
ILE272
3.784
ASN274
3.359
CYS276
3.942
PHE278
4.240
SER311
4.071
ASN342
3.205
LYS429
2.915
|
|||||
| PDB ID: 6GJG Plasmodium falciparum dihydroorotate dehydrogenase DHODH in complex with 3,6-dimethyl-N-(4-(trifluoromethyl)phenyl)-(1,2)oxazolo(5,4-d)pyrimidin-4-amine | ||||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [9] |
| PDB Sequence |
NPEFFLYDIF
171 LKFCLKYIDG181 EICHDLFLLL191 GKYNILPYDT201 SNDSIYACTN211 IKHLDFINPF 221 GVAAGFDKNG231 VCIDSILKLG241 FSFIEIGTIT251 PRGQTGNAKP261 RIFRDVESRS 271 IINSCGFNNM281 GCDKVTENLI291 LFRKRQEEDK301 LLSKHIVGVS311 IGKNKDTVNI 321 VDDLKYCINK331 IGRYADYIAI341 NVSSPNTPGL351 RDNQEAGKLK361 NIILSVKEEI 371 DNLEKNNFLW416 FNTTKKKPLV426 FVKLAPDLNQ436 EQKKEIADVL446 LETNIDGMII 456 SNTTTQINDI466 KSFENKKGGV476 SGAKLKDIST486 KFICEMYNYT496 NKQIPIIASG 506 GIFSGLDALE516 KIEAGASVCQ526 LYSCLVFNGM536 KSAVQIKREL546 NHLLYQRGYY 556 NLKEAIGRKH566 S
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
3.230
ALA225
2.736
GLY226
3.231
LYS229
3.074
GLU246
4.513
GLY248
3.815
THR249
2.758
ILE263
3.691
ILE272
3.947
ASN274
3.276
CYS276
3.886
PHE278
4.214
SER311
4.138
ASN342
3.170
LYS429
2.773
|
|||||
| PDB ID: 7KYY Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM697 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(6-(trifluoromethyl)-1H-indol-3-yl)-1H-pyrrole-2-carboxamide) | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [7] |
| PDB Sequence |
DPFESYNPEF
165 FLYDIFLKFC175 LKYIDGEICH185 DLFLLLGKYN195 ILPYDTSNDS205 IYACTNIKHL 215 DFINPFGVAA225 GFDKNGVCID235 SILKLGFSFI245 EIGTITPRGQ255 TGNAKPRIFR 265 DVESRSIINS275 CGFNNMGCDK285 VTENLILFRK295 RQEEDKLLSK305 HIVGVSIGKN 315 KDTVNIVDDL325 KYCINKIGRY335 ADYIAINVSS345 PNTPGLRDNQ355 EAGKLKNIIL 365 SVKEEIDNLE375 KNFLWFNTTK421 KKPLVFVKLA431 PDLNQEQKKE441 IADVLLETNI 451 DGMIISNTTT461 QINDIKSFEN471 KKGGVSGAKL481 KDISTKFICE491 MYNYTNKQIP 501 IIASGGIFSG511 LDALEKIEAG521 ASVCQLYSCL531 VFNGMKSAVQ541 IKRELNHLLY 551 QRGYYNLKEA561 IGRKHS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:476 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:532; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
1.992
ALA225
2.693
GLY226
2.374
LYS229
2.782
GLU246
4.614
GLY248
3.974
THR249
1.782
ILE263
2.688
ILE272
2.951
ILE273
4.768
ASN274
2.458
CYS276
2.342
PHE278
3.419
SER311
3.048
ASN342
2.260
LYS429
1.969
SER457
2.645
|
|||||
| PDB ID: 4ORM Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM338 (N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine) | ||||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [10] |
| PDB Sequence |
YNPEFFLYDI
170 FLKFCLKYID180 GEICHDLFLL190 LGKYNILPYD200 TSNDSIYACT210 NIKHLDFINP 220 FGVAAGFDKN230 GVCIDSILKL240 GFSFIEIGTI250 TPRGQTGNAK260 PRIFRDVESR 270 SIINSCGFNN280 MGCDKVTENL290 ILFRKRQEED300 KLLSKHIVGV310 SIGKNKDTVN 320 IVDDLKYCIN330 KIGRYADYIA340 INVSSPNTPG350 LRDNQEAGKL360 KNIILSVKEE 370 IDNLEKNNIM380 NDEFLWFNTT420 KKKPLVFVKL430 APDLNQEQKK440 EIADVLLETN 450 IDGMIISNTT460 TQINDIKSFE470 NKKGGVSGAK480 LKDISTKFIC490 EMYNYTNKQI 500 PIIASGGIFS510 GLDALEKIEA520 GASVCQLYSC530 LVFNGMKSAV540 QIKRELNHLL 550 YQRGYYNLKE560 AIGRK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
3.207
ALA225
2.515
GLY226
3.005
LYS229
2.850
GLU246
4.636
GLY248
3.819
THR249
2.798
ILE263
3.695
ILE272
3.931
ASN274
3.552
CYS276
3.869
PHE278
4.435
SER311
4.008
ASN342
3.288
LYS429
2.834
|
|||||
| PDB ID: 6E0B Plasmodium falciparum dihydroorotate dehydrogenase C276F mutant bound with triazolopyrimidine-based inhibitor DSM1 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [11] |
| PDB Sequence |
NPEFFLYDIF
171 LKFCLKYIDG181 EICHDLFLLL191 GKYNILPYDT201 SNDSIYACTN211 IKHLDFINPF 221 GVAAGFDKNG231 VCIDSILKLG241 FSFIEIGTIT251 PRGQTGNAKP261 RIFRDVESRS 271 IINSFGFNNM281 GCDKVTENLI291 LFRKRQEEDK301 LLSKHIVGVS311 IGKNKDTVNI 321 VDDLKYCINK331 IGRYADYIAI341 NVSSPNTPGL351 RDNQEAGKLK361 NIILSVKEEI 371 DNLEKNNIMN381 DEFLWFNTTK421 KKPLVFVKLA431 PDLNQEQKKE441 IADVLLETNI 451 DGMIISNTTT461 QINDIKSFEN471 KKGGVSGAKL481 KDISTKFICE491 MYNYTNKQIP 501 IIASGGIFSG511 LDALEKIEAG521 ASVCQLYSCL531 VFNGMKSAVQ541 IKRELNHLLY 551 QRGYYNLKEA561 IGRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:476 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:532; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
2.011
ALA225
2.739
GLY226
2.283
LYS229
2.546
GLU246
4.607
GLY248
3.981
THR249
1.689
ILE263
2.305
ILE272
2.888
ILE273
4.732
ASN274
2.334
PHE276
2.446
PHE278
3.376
SER311
3.476
ASN342
2.137
LYS429
1.966
SER457
3.201
|
|||||
| PDB ID: 5TBO Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421 | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [12] |
| PDB Sequence |
NPEFFLYDIF
171 LKFCLKYIDG181 EICHDLFLLL191 GKYNILPYDT201 SNDSIYACTN211 IKHLDFINPF 221 GVAAGFDKNG231 VCIDSILKLG241 FSFIEIGTIT251 PRGQTGNAKP261 RIFRDVESRS 271 IINSCGFNNM281 GCDKVTENLI291 LFRKRQEEDK301 LLSKHIVGVS311 IGKNKDTVNI 321 VDDLKYCINK331 IGRYADYIAI341 NVEAGKLKNI363 ILSVKEEIDN373 LEKNNIMNDE 383 FLWFNTTKKK423 PLVFVKLAPD433 LNQEQKKEIA443 DVLLETNIDG453 MIISNTTTQI 463 NDIKSFENKK473 GGVSGAKLKD483 ISTKFICEMY493 NYTNKQIPII503 ASGGIFSGLD 513 ALEKIEAGAS523 VCQLYSCLVF533 NGMKSAVQIK543 RELNHLLYQR553 GYYNLKEAIG 563 RK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:476 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
1.901
ALA225
2.648
GLY226
2.301
LYS229
2.416
GLU246
4.609
GLY248
3.966
THR249
1.689
ILE263
2.769
ILE272
3.024
ILE273
4.757
ASN274
2.282
CYS276
2.504
PHE278
3.596
SER311
2.731
ASN342
2.277
LYS429
1.866
|
|||||
| PDB ID: 7KYK Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM589 (ethyl 3-methyl-4-((4-(trifluoromethyl)benzo[d]oxazol-7-yl)methyl)-1H-pyrrole-2-carboxylate) | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [7] |
| PDB Sequence |
DPFESYNPEF
165 FLYDIFLKFC175 LKYIDGEICH185 DLFLLLGKYN195 ILPYDTSNDS205 IYACTNIKHL 215 DFINPFGVAA225 GFDKNGVCID235 SILKLGFSFI245 EIGTITPRGQ255 TGNAKPRIFR 265 DVESRSIINS275 CGFNNMGCDK285 VTENLILFRK295 RQEEDKLLSK305 HIVGVSIGKN 315 KDTVNIVDDL325 KYCINKIGRY335 ADYIAINVSS345 PNTPGLRDNQ355 EAGKLKNIIL 365 SVKEEIDNLE375 KNNFLWFNTT420 KKKPLVFVKL430 APDLNQEQKK440 EIADVLLETN 450 IDGMIISNTT460 TQINDIKSFE470 NKKGGVSGAK480 LKDISTKFIC490 EMYNYTNKQI 500 PIIASGGIFS510 GLDALEKIEA520 GASVCQLYSC530 LVFNGMKSAV540 QIKRELNHLL 550 YQRGYYNLKE560 AIGRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:476 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:509 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:532; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
2.039
ALA225
2.665
GLY226
2.333
LYS229
1.976
GLU246
4.628
GLY248
3.837
THR249
1.715
ILE263
2.696
ILE272
3.062
ILE273
4.711
ASN274
2.349
CYS276
2.499
PHE278
3.402
SER311
3.032
ASN342
2.334
LYS429
1.944
SER457
3.268
|
|||||
| PDB ID: 5DEL Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM59 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [13] |
| PDB Sequence |
NPEFFLYDIF
171 LKFCLKYIDG181 EICHDLFLLL191 GKYNILPYDT201 SNDSIYACTN211 IKHLDFINPF 221 GVAAGFDKNG231 VCIDSILKLG241 FSFIEIGTIT251 PRGQTGNAKP261 RIFRDVESRS 271 IINSCGFNNM281 GCDKVTENLI291 LFRKRQEEDK301 LLSKHIVGVS311 IGKNKDTVNI 321 VDDLKYCINK331 IGRYADYIAI341 NVSSPNTPGL351 RDNQEAGKLK361 NIILSVKEEI 371 DNLEKNNIMN381 DEFLWFNTTK421 KKPLVFVKLA431 PDLNQEQKKE441 IADVLLETNI 451 DGMIISNTTT461 QINDIKSFEN471 KKGGVSGAKL481 KDISTKFICE491 MYNYTNKQIP 501 IIASGGIFSG511 LDALEKIEAG521 ASVCQLYSCL531 VFNGMKSAVQ541 IKRELNHLLY 551 QRGYYNLKEA561 IGRK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:476 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:532; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
2.008
ALA225
2.670
GLY226
2.239
LYS229
2.598
GLU246
4.697
GLY248
3.848
THR249
1.770
ILE263
2.759
ILE272
3.054
ILE273
4.554
ASN274
2.393
CYS276
2.468
PHE278
3.534
SER311
2.609
ASN342
2.104
LYS429
1.842
SER457
3.246
|
|||||
| PDB ID: 4RX0 Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265 | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [5] |
| PDB Sequence |
YNPEFFLYDI
170 FLKFCLKYID180 GEICHDLFLL190 LGKYNILPYD200 TSNDSIYACT210 NIKHLDFINP 220 FGVAAGFDKN230 GVCIDSILKL240 GFSFIEIGTI250 TPRGQTGNAK260 PRIFRDVESR 270 SIINSCGFNN280 MGCDKVTENL290 ILFRKRQEED300 KLLSKHIVGV310 SIGKNKDTVN 320 IVDDLKYCIN330 KIGRYADYIA340 INVSSPEAGK359 LKNIILSVKE369 EIDNLEKNNI 379 MNDEFLWFNT419 TKKKPLVFVK429 LAPDLNQEQK439 KEIADVLLET449 NIDGMIISNT 459 TTQINDIKSF469 ENKKGGVSGA479 KLKDISTKFI489 CEMYNYTNKQ499 IPIIASGGIF 509 SGLDALEKIE519 AGASVCQLYS529 CLVFNGMKSA539 VQIKRELNHL549 LYQRGYYNLK 559 EAIGRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:476 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:509 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
2.064
ALA225
2.664
GLY226
2.313
LYS229
2.368
GLU246
4.813
GLY248
4.116
THR249
1.668
ILE263
2.686
ILE272
2.915
ILE273
4.615
ASN274
2.567
CYS276
2.664
PHE278
3.535
SER311
3.495
ASN342
3.230
LYS429
1.923
SER457
2.689
|
|||||
| PDB ID: 6VTN Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM557 | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [2] |
| PDB Sequence |
NPEFFLYDIF
171 LKFCLKYIDG181 EICHDLFLLL191 GKYNILPYDT201 SNDSIYACTN211 IKHLDFINPF 221 GVAAGFDKNG231 VCIDSILKLG241 FSFIEIGTIT251 PRGQTGNAKP261 RIFRDVESRS 271 IINSCGFNNM281 GCDKVTENLI291 LFRKRQEEDK301 LLSKHIVGVS311 IGKNKDTVNI 321 VDDLKYCINK331 IGRYADYIAI341 NVSSPNTPGL351 RDNQEAGKLK361 NIILSVKEEI 371 DNLEKNNIMN381 DEFLWFNTTK421 KKPLVFVKLA431 PDLNQEQKKE441 IADVLLETNI 451 DGMIISNTTT461 QINDIKSFEN471 KKGGVSGAKL481 KDISTKFICE491 MYNYTNKQIP 501 IIASGGIFSG511 LDALEKIEAG521 ASVCQLYSCL531 VFNGMKSAVQ541 IKRELNHLLY 551 QRGYYNLKEA561 IGRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:476 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:509 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:532; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
2.081
ALA225
2.708
GLY226
2.250
LYS229
2.515
GLU246
4.606
GLY248
3.794
THR249
1.677
ILE263
2.900
ILE272
2.939
ILE273
4.692
ASN274
2.400
CYS276
2.998
PHE278
3.369
SER311
2.916
ASN342
2.044
LYS429
1.929
SER457
3.178
|
|||||
| PDB ID: 5FI8 Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine) | ||||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [14] |
| PDB Sequence |
NPEFFLYDIF
171 LKFCLKYIDG181 EICHDLFLLL191 GKYNILPYDT201 SNDSIYACTN211 IKHLDFINPF 221 GVAAGFDKNG231 VCIDSILKLG241 FSFIEIGTIT251 PRGQTGNAKP261 RIFRDVESRS 271 IINSCGFNNM281 GCDKVTENLI291 LFRKRQEEDK301 LLSKHIVGVS311 IGKNKDTVNI 321 VDDLKYCINK331 IGRYADYIAI341 NVQEAGKLKN362 IILSVKEEID372 NLEKNNIMND 382 EFLWFNTTKK422 KPLVFVKLAP432 DLNQEQKKEI442 ADVLLETNID452 GMIISNTTTQ 462 INDIKSFENK472 KGGVSGAKLK482 DISTKFICEM492 YNYTNKQIPI502 IASGGIFSGL 512 DALEKIEAGA522 SVCQLYSCLV532 FNGMKSAVQI542 KRELNHLLYQ552 RGYYNLKEAI 562 GRK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:476 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:509 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
2.030
ALA225
2.652
GLY226
2.281
LYS229
1.866
GLU246
4.614
GLY248
3.886
THR249
1.677
ILE263
2.700
ILE272
3.019
ILE273
4.724
ASN274
2.301
CYS276
2.612
PHE278
3.585
SER311
3.537
ASN342
2.359
LYS429
1.824
SER457
3.231
|
|||||
| PDB ID: 4CQ9 Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6253 | ||||||
| Method | X-ray diffraction | Resolution | 2.72 Å | Mutation | No | [8] |
| PDB Sequence |
FLYDIFLKFC
175 LKYIDGEICH185 DLFLLLGKYN195 ILPYDTSNDS205 IYACTNIKHL215 DFINPFGVAA 225 GFDKNGVCID235 SILKLGFSFI245 EIGTITPRGQ255 TGNAKPRIFR265 DVESRSIINS 275 CGFNNMGCDK285 VTENLILFRK295 RQEEDKLLSK305 HIVGVSIGKN315 KDTVNIVDDL 325 KYCINKIGRY335 ADYIAINVSS345 PNTPGLRDNQ355 EAGKLKNIIL365 SVKEEIDNLE 375 KNNFLWFNTT420 KKKPLVFVKL430 APDLNQEQKK440 EIADVLLETN450 IDGMIISNTT 460 TQINDIKSFE470 NKKGGVSGAK480 LKDISTKFIC490 EMYNYTNKQI500 PIIASGGIFS 510 GLDALEKIEA520 GASVCQLYSC530 LVFNGMKSAV540 QIKRELNHLL550 YQRGYYNLKE 560 AIGRKHS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
3.219
ALA225
2.811
GLY226
3.263
LYS229
3.022
GLU246
4.721
GLY248
3.776
THR249
2.805
ILE263
3.599
ILE272
3.833
ASN274
3.270
CYS276
3.791
PHE278
4.239
SER311
4.119
ASN342
3.039
LYS429
2.705
|
|||||
| PDB ID: 7S87 Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01 | ||||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [15] |
| PDB Sequence |
ADPFESYNPE
164 FFLYDIFLKF174 CLKYIDGEIC184 HDLFLLLGKY194 NILPYDTSND204 SIYACTNIKH 214 LDFINPFGVA224 AGFDKNGVCI234 DSILKLGFSF244 IEIGTITPRG254 QTGNAKPRIF 264 RDVESRSIIN274 SCGFNNMGCD284 KVTENLILFR294 KRQEEDKLLS304 KHIVGVSIGK 314 NKDTVNIVDD324 LKYCINKIGR334 YADYIAINVS344 SPNTPGLRDN354 QEAGKLKNII 364 LSVKEEIDNL374 EKNNDEFLWF387 NTTKKKPLVF397 VKLAPDLNQE407 QKKEIADVLL 417 ETNIDGMIIS427 NTTTQINDIK437 SFENKKGGVS447 GAKLKDISTK457 FICEMYNYTN 467 KQIPIIASGG477 IFSGLDALEK487 IEAGASVCQL497 YSCLVFNGMK507 SAVQIKRELN 517 HLLYQRGYYN527 LKEAIGRKH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:344 or .A:399 or .A:427 or .A:428 or .A:429 or .A:447 or .A:448 or .A:451 or .A:475 or .A:476 or .A:477 or .A:478 or .A:496 or .A:497 or .A:498 or .A:499 or .A:500; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
3.275
ALA225
2.790
GLY226
3.222
LYS229
3.127
GLU246
4.594
GLY248
3.901
THR249
2.830
ILE263
3.767
ILE272
3.954
ASN274
3.200
CYS276
3.872
PHE278
4.249
SER311
4.162
ASN342
2.903
SER344
4.960
LYS399
2.668
|
|||||
| PDB ID: 4CQA Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) in complex with IDI-6273 | ||||||
| Method | X-ray diffraction | Resolution | 2.82 Å | Mutation | No | [8] |
| PDB Sequence |
FFLYDIFLKF
174 CLKYIDGEIC184 HDLFLLLGKY194 NILPYDTSND204 SIYACTNIKH214 LDFINPFGVA 224 AGFDKNGVCI234 DSILKLGFSF244 IEIGTITPRG254 QTGNAKPRIF264 RDVESRSIIN 274 SCGFNNMGCD284 KVTENLILFR294 KRQEEDKLLS304 KHIVGVSIGK314 NKDTVNIVDD 324 LKYCINKIGR334 YADYIAINVS344 SPNTPGLRDN354 QEAGKLKNII364 LSVKEEIDNL 374 EKNNIMNFLW416 FNTTKKKPLV426 FVKLAPDLNQ436 EQKKEIADVL446 LETNIDGMII 456 SNTTTQINDI466 KSFENKKGGV476 SGAKLKDIST486 KFICEMYNYT496 NKQIPIIASG 506 GIFSGLDALE516 KIEAGASVCQ526 LYSCLVFNGM536 KSAVQIKREL546 NHLLYQRGYY 556 NLKEAIGRKH566 S
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
3.364
ALA225
2.735
GLY226
3.327
LYS229
3.311
GLU246
4.578
GLY248
3.723
THR249
2.757
ILE263
3.872
ILE272
3.972
ASN274
3.630
CYS276
3.936
PHE278
4.550
SER311
3.955
ASN342
2.790
LYS429
2.744
|
|||||
| PDB ID: 3SFK Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM267 | ||||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [16] |
| PDB Sequence |
YNPEFFLYDI
170 FLKFCLKYID180 GEICHDLFLL190 LGKYNILPYD200 TSNDSIYACT210 NIKHLDFINP 220 FGVAAGFDKN230 GVCIDSILKL240 GFSFIEIGTI250 TPRGQTGNAK260 PRIFRDVESR 270 SIINSCGFNN280 MGCDKVTENL290 ILFRKRQEED300 KLLSKHIVGV310 SIGKNKDTVN 320 IVDDLKYCIN330 KIGRYADYIA340 INVSSPNQEA357 GKLKNIILSV367 KEEIDNLEKN 377 NIMNDEFLWF417 NTTKKKPLVF427 VKLAPDLNQE437 QKKEIADVLL447 ETNIDGMIIS 457 NTTTQINDIK467 SFENKKGGVS477 GAKLKDISTK487 FICEMYNYTN497 KQIPIIASGG 507 IFSGLDALEK517 IEAGASVCQL527 YSCLVFNGMK537 SAVQIKRELN547 HLLYQRGYYN 557 LKEAIGRK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:429 or .A:457 or .A:458 or .A:459 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
3.228
ALA225
2.811
GLY226
3.056
LYS229
3.090
GLU246
4.770
GLY248
4.051
THR249
2.584
ILE263
3.764
ILE272
3.802
ASN274
3.625
CYS276
4.086
PHE278
3.792
SER311
4.223
ASN342
3.260
LYS429
2.331
|
|||||
| PDB ID: 7KYV Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM634 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(4-(trifluoromethyl)benzyl)-1H-pyrrole-2-carboxamide) | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [7] |
| PDB Sequence |
NPEFFLYDIF
171 LKFCLKYIDG181 EICHDLFLLL191 GKYNILPYDT201 SNDSIYACTN211 IKHLDFINPF 221 GVAAGFDKNG231 VCIDSILKLG241 FSFIEIGTIT251 PRGQTGNAKP261 RIFRDVESRS 271 IINSCGFNNM281 GCDKVTENLI291 LFRKRQEEDK301 LLSKHIVGVS311 IGKNKDTVNI 321 VDDLKYCINK331 IGRYADYIAI341 NVSSPNTPGL351 RDNQEAGKLK361 NIILSVKEEI 371 DNLEKNNIMN381 DEFLWFNTTK421 KKPLVFVKLA431 PDLNQEQKKE441 IADVLLETNI 451 DGMIISNTTT461 QINDIKSFEN471 KKGGVSGAKL481 KDISTKFICE491 MYNYTNKQIP 501 IIASGGIFSG511 LDALEKIEAG521 ASVCQLYSCL531 VFNGMKSAVQ541 IKRELNHLLY 551 QRGYYNLKEA561 IGRK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMN or .FMN2 or .FMN3 or :3FMN;style chemicals stick;color identity;select .A:224 or .A:225 or .A:226 or .A:229 or .A:246 or .A:248 or .A:249 or .A:263 or .A:272 or .A:273 or .A:274 or .A:276 or .A:278 or .A:311 or .A:342 or .A:345 or .A:429 or .A:457 or .A:458 or .A:459 or .A:475 or .A:477 or .A:478 or .A:481 or .A:505 or .A:506 or .A:507 or .A:508 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:532; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA224
2.082
ALA225
2.546
GLY226
2.409
LYS229
2.308
GLU246
4.743
GLY248
3.710
THR249
1.654
ILE263
2.553
ILE272
2.876
ILE273
4.605
ASN274
2.336
CYS276
2.575
PHE278
3.237
SER311
2.820
ASN342
2.387
SER345
4.921
LYS429
1.738
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of Plasmodium falciparum dihydroorotate dehydrogenase with a bound inhibitor. Acta Crystallogr D Biol Crystallogr. 2006 Mar;62(Pt 3):312-23. | ||||
| REF 2 | Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria. J Med Chem. 2020 May 14;63(9):4929-4956. | ||||
| REF 3 | Structural plasticity of malaria dihydroorotate dehydrogenase allows selective binding of diverse chemical scaffolds. J Biol Chem. 2009 Sep 25;284(39):26999-7009. | ||||
| REF 4 | Novel inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with anti-malarial activity in the mouse model. J Biol Chem. 2010 Oct 22;285(43):33054-33064. | ||||
| REF 5 | A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria. Sci Transl Med. 2015 Jul 15;7(296):296ra111. | ||||
| REF 6 | Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies. Eur J Med Chem. 2019 Feb 1;163:266-280. | ||||
| REF 7 | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J Med Chem. 2021 May 13;64(9):6085-6136. | ||||
| REF 8 | In vitro resistance selections for Plasmodium falciparum dihydroorotate dehydrogenase inhibitors give mutants with multiple point mutations in the drug-binding site and altered growth. J Biol Chem. 2014 Jun 27;289(26):17980-95. | ||||
| REF 9 | Isoxazolopyrimidine-Based Inhibitors of Plasmodium falciparum Dihydroorotate Dehydrogenase with Antimalarial Activity. ACS Omega. 2018 Aug 31;3(8):9227-9240. | ||||
| REF 10 | Fluorine modulates species selectivity in the triazolopyrimidine class of Plasmodium falciparum dihydroorotate dehydrogenase inhibitors. J Med Chem. 2014 Jun 26;57(12):5381-94. | ||||
| REF 11 | Identification and Mechanistic Understanding of Dihydroorotate Dehydrogenase Point Mutations in Plasmodium falciparum that Confer in Vitro Resistance to the Clinical Candidate DSM265. ACS Infect Dis. 2019 Jan 11;5(1):90-101. | ||||
| REF 12 | A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria. ACS Infect Dis. 2016 Dec 9;2(12):945-957. | ||||
| REF 13 | The X-ray structure of Plasmodium falciparum dihydroorotate dehydrogenase bound to a potent and selective N-phenylbenzamide inhibitor reveals novel binding-site interactions. Acta Crystallogr F Struct Biol Commun. 2015 May;71(Pt 5):553-9. | ||||
| REF 14 | Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity. J Med Chem. 2016 Jun 9;59(11):5416-31. | ||||
| REF 15 | Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01 | ||||
| REF 16 | Structure-guided lead optimization of triazolopyrimidine-ring substituents identifies potent Plasmodium falciparum dihydroorotate dehydrogenase inhibitors with clinical candidate potential. J Med Chem. 2011 Aug 11;54(15):5540-61. | ||||
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