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Sars-cov2 protease Mpro-1

This is the main protease of the coronavirus. You can learn more about it at RCSB

This particular structure is based on a recent fragment screening experiment.

alt text

See this system on Github

Results

Total jobs calculated : 478175
jobID user zinc drawing bestDG weight ph charge subsets chembl results
404694 sodak2hou ZINC242437511 -13.25 477.603 0 5 fda Results
377020 poweredge ZINC607986 -12.55 405.441 0 1 fda Results
376837 Alcedema ZINC5844788 -11.91 405.441 0 1 fda Results
363360 magus ZINC4213946 -11.72 405.441 0 1 fda Results
412576 sodak2hou ZINC3927822 -11.63 492.689 0 1 fda LURASIDONE
antipsychotic with binding activity on serotonin (5HT2A) and dopamine (D2) receptors
Results
404686 Discordia ZINC242437513 -11.42 477.603 0 5 fda Results
419383 Discordia ZINC2005305 -11.35 459.463 1 -2 fda LEVOMEFOLIC ACID Results
369044 ersatzBoffin ZINC3918453 -11.27 475.523 0 -1 fda ERTAPENEM
antibacterial antibiotics, carbapenem derivatives
Results
404734 Alcedema ZINC242437512 -10.98 477.603 0 5 fda Results
368204 namesake ZINC12503068 -10.95 392.519 0 1 fda Results
368190 PerfumedTree ZINC100016084 -10.94 392.519 0 1 fda TROSPIUM
quaternary ammonium derivatives
Results
367686 magus ZINC4629876 -10.91 396.659 0 0 fda ERGOCALCIFEROL
vitamin D analogues
Results
383702 poweredge ZINC3990451 -10.88 496.633 0 -1 fda SELEXIPAG Results
376107 Alcedema ZINC100004343 -10.59 528.951 0 1 fda Results
365562 poweredge ZINC4474414 -10.56 400.647 0 0 fda CALCIFEDIOL
vitamin D analogues
Results
362467 dridabi427 ZINC1850377 -10.54 391.294 0 0 fda CHEMBL601463 Results
437612 poweredge ZINC4474460 -10.51 384.648 0 0 fda CHOLECALCIFEROL
vitamin D analogues
Results
417363 Discordia ZINC1530579 -10.45 406.482 0 1 fda CHEMBL3799125 Results
405699 Alcedema ZINC1895505 -10.37 470.613 0 1 fda BAZEDOXIFENE
antiestrogens of the clomifene and tamoxifen groups
Results
407735 Discordia ZINC4641374 -10.36 412.658 0 0 fda DOXERCALCIFEROL
vitamin D analogues
Results
378099 Alcedema ZINC449 -10.21 340.443 0 1 fda CHEMBL3306998 Results
369867 ersatzBoffin ZINC3915154 -10.2 540.697 0 0 fda CICLESONIDE
topical steroids (acetal derivatives)
Results
366541 ersatzBoffin ZINC1530580 -10.14 406.482 0 1 fda CHEMBL3798017 Results
367909 ersatzBoffin ZINC43450324 -10.13 545.629 1 1 fda Results
380510 poweredge ZINC3921872 -10.13 412.614 0 0 fda CALCIPOTRIENE
vitamin D analogues
Results
368041 ersatzBoffin ZINC601316 -10.11 352.454 0 1 fda Results
405976 poweredge ZINC538275 -10.09 473.594 0 1 fda RALOXIFENE
antiestrogens of the clomifene and tamoxifen groups
Results
438186 poweredge ZINC3802417 -10.08 424.541 0 0 fda ALVIMOPAN Results
403657 Alcedema ZINC527386 -10.07 329.371 0 1 fda PAROXETINE
antidepressants (fluoxetine type)
Results
404230 Alcedema ZINC3813083 -10.0 340.443 0 1 fda CHEMBL1437876 Results
370140 ersatzBoffin ZINC21981454 -9.99 410.913 0 0 fda Results
408860 poweredge ZINC100013500 -9.99 517.776 0 1 fda RETAPAMULIN
antibacterials, pleuromulin derivatives
Results
403301 Discordia ZINC4095858 -9.98 430.717 0 0 fda VITAMIN E Results
370160 cosmoi7 ZINC34608502 -9.96 428.596 0 1 fda UMECLIDINIUM
quaternary ammonium derivatives: muscarinic receptor antagonists
Results
382050 RobotSpike ZINC601229 -9.96 381.907 1 1 fda Results
369503 BogdanRoscaneanu ZINC4083606 -9.94 428.613 0 0 fda HYDROXYPROGESTERONE CAPROATE
progestins; steroids (androgens, anabolics)
Results
370204 namesake ZINC12503291 -9.92 392.522 0 1 fda Results
376030 cosmoi7 ZINC4655029 -9.92 555.516 0 1 fda BEDAQUILINE
antibiotics, diarylquinoline structure
Results
396349 Discordia ZINC1850376 -9.9 391.294 0 0 fda CHEMBL589356 Results
369873 magus ZINC13911941 -9.87 416.646 0 0 fda PARICALCITOL
vitamin D analogues
Results
399220 revcbh ZINC3830212 -9.87 645.319 0 1 fda AMIODARONE
antirrhythmics: indicates high iodine content
Results
367067 cosmoi7 ZINC3780893 -9.86 418.574 0 0 fda SIMVASTATIN
enzyme inhibitors: antihyperlipidemics (HMG-CoA inhibitors)
Results
362085 cosmoi7 ZINC2032615 -9.85 391.294 0 0 fda CHEMBL600685 Results
407857 poweredge ZINC100015048 -9.85 416.646 0 0 fda CALCITRIOL
vitamin D analogues
Results
409588 sodak2hou ZINC1851149 -9.82 448.394 0 1 fda ARIPIPRAZOLE
antiulcer agents (benzimidazole derivatives)
Results
368685 cosmoi7 ZINC14261579 -9.8 540.697 0 0 fda Results
396329 poweredge ZINC1850374 -9.8 391.294 0 0 fda CHEMBL589355 Results
369534 namesake ZINC3914596 -9.79 670.855 1 1 fda SAQUINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
364698 cosmoi7 ZINC4175630 -9.7 461.556 0 1 fda PIMOZIDE Results
368268 cosmoi7 ZINC3812841 -9.7 404.547 0 0 fda LOVASTATIN
enzyme inhibitors: antihyperlipidemics (HMG-CoA inhibitors)
Results
363479 poweredge ZINC19632668 -9.69 378.516 0 0 fda (S)-DOXAPRAM Results
425946 poweredge ZINC3830716 -9.69 452.598 0 1 fda DIPHENOXYLATE Results
383102 RobotSpike ZINC3931840 -9.68 517.776 0 1 fda Results
404995 poweredge ZINC242437514 -9.68 477.603 0 5 fda Results
368188 ersatzBoffin ZINC4212854 -9.67 376.468 0 0 fda DESOXIMETASONE Results
367857 ersatzBoffin ZINC608382 -9.64 391.467 0 0 fda FLAVOXATE Results
383012 RobotSpike ZINC402830 -9.64 343.898 1 1 fda CLEMASTINE
antihistaminics (histamine-H1 receptor antagonists)
Results
403310 Alcedema ZINC8214619 -9.62 428.657 0 0 fda NANDROLONE DECANOATE
androgens; steroids (not prednisolone derivatives)
Results
381442 RobotSpike ZINC3797541 -9.61 349.518 0 0 fda ABIRATERONE
antiandrogens
Results
370117 cosmoi7 ZINC1542930 -9.6 372.549 0 0 fda CESAMET Results
364215 poweredge ZINC1530759 -9.59 341.451 0 1 fda CHEMBL1322675 Results
403340 sodak2hou ZINC2016037 -9.58 437.779 0 0 fda ARASERTACONAZOLE
systemic antifungals (miconazole type)
Results
368534 cosmoi7 ZINC3938744 -9.57 521.05 0 0 fda BECLOMETHASONE DIPROPIONATE Results
381176 RobotSpike ZINC12402836 -9.56 405.969 0 1 fda ZUCLOMIPHENE Results
381807 RobotSpike ZINC5029557 -9.56 386.532 0 0 fda MEDROXYPROGESTERONE ACETATE
progestins; steroids (androgens, anabolics)
Results
404385 Alcedema ZINC1552174 -9.56 369.469 0 0 fda CILOSTAZOL Results
396164 poweredge ZINC601250 -9.55 397.758 0 0 fda Results
366790 ersatzBoffin ZINC3927200 -9.54 366.501 0 0 fda DROSPIRENONE
aldosterone antagonists (spironolactone type)
Results
407278 sodak2hou ZINC36520252 -9.53 450.915 0 0 fda EMPAGLIFLOZIN
phlorozin derivatives, phenolic glycosides
Results
369569 poweredge ZINC3875334 -9.52 402.487 0 0 fda CORTISONE ACETATE Results
370018 PerfumedTree ZINC3833846 -9.52 567.796 1 1 fda NELFINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
382853 RobotSpike ZINC601317 -9.52 424.544 0 0 fda DIFENOXIN
fluoroquinolone derivatives, nonantibacterial indications (e.g., antineoplastic antibiotics)
Results
432643 poweredge ZINC1481956 -9.51 426.492 0 1 fda CHEMBL2361980 Results
367017 poweredge ZINC3873371 -9.5 397.758 0 1 fda CHEMBL1446716 Results
403354 Alcedema ZINC606383 -9.5 437.779 0 0 fda Results
389142 Discordia ZINC34051848 -9.49 298.455 0 1 fda VORTIOXETINE
antidepressants (fluoxetine type): thioether derivatives
Results
438754 poweredge ZINC1530625 -9.49 314.469 0 0 fda DRONABINOL
cannabinol derivatives
Results
398732 poweredge ZINC100004345 -9.46 528.951 0 1 fda Results
432782 poweredge ZINC4214700 -9.46 426.492 0 1 fda Results
417460 sodak2hou ZINC19228902 -9.43 403.979 1 1 fda PERPHENAZINE Results
367065 BogdanRoscaneanu ZINC3810860 -9.4 409.432 0 0 fda EZETIMIBE
antihyperlipidaemics, acyl CoA: cholesterol acyltransferase (ACAT)inhibitors
Results
435996 poweredge ZINC1530697 -9.39 370.587 1 1 fda CHEMBL1357558 Results
366181 cosmoi7 ZINC53683345 -9.38 475.362 0 1 fda VANDETANIB
angiogenesis inhibitors
Results
369838 ersatzBoffin ZINC30691727 -9.38 484.663 0 1 fda ACLIDINIUM
quaternary ammonium derivatives: muscarinic receptor antagonists
Results
383666 RobotSpike ZINC5752191 -9.37 410.457 0 0 fda DIFLORASONE Results
381389 RobotSpike ZINC3881640 -9.34 370.489 0 0 fda Results
413974 poweredge ZINC43207238 -9.33 444.524 0 0 fda CANAGLIFLOZIN
phlorozin derivatives, phenolic glycosides
Results
369934 ersatzBoffin ZINC1530975 -9.32 317.476 1 1 fda BUTENAFINE Results
413087 sodak2hou ZINC3875560 -9.32 374.477 0 0 fda METHYLPREDNISOLONE
prednisone and prednisolone derivatives
Results
363363 cosmoi7 ZINC1999441 -9.3 405.441 0 1 fda Results
387999 poweredge ZINC3920657 -9.3 475.629 0 0 fda ULIPRISTAL ACETATE
steriodal compounds acting on progesterone receptors (excluding -gest- compounds)
Results
365683 namesake ZINC1548097 -9.29 426.488 0 1 fda ILOPERIDONE
antipsychotics (risperidone type)
Results
382927 RobotSpike ZINC3938652 -9.28 488.577 0 0 fda PREDNICARBATE
prednisone and prednisolone derivatives
Results
441162 poweredge ZINC43450326 -9.28 545.629 1 1 fda Results
415164 Discordia ZINC3882036 -9.27 394.439 0 0 fda TRIAMCINOLONE
steroids (not prednisolone derivatives)
Results
383136 RobotSpike ZINC3873296 -9.24 429.134 2 1 fda Results
381544 cosmoi7 ZINC19594557 -9.23 390.958 0 1 fda CHEMBL1440522 Results
368915 cosmoi7 ZINC1530761 -9.22 368.497 0 1 fda PROPANTHELINE Results
380245 poweredge ZINC3812863 -9.22 405.495 0 0 fda LISINOPRIL
antihypertensives (ACE inhibitors)
Results
383368 RobotSpike ZINC60325170 -9.2 531.316 0 1 fda COBIMETINIB
tyrosine kinase inhibitors: mitogen-activated protein (MAP) kinase inhibitors
Results
364981 namesake ZINC22448696 -9.19 613.803 0 0 fda INDINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
379494 cosmoi7 ZINC537928 -9.19 477.048 0 1 fda LOPERAMIDE Results
381899 RobotSpike ZINC3831417 -9.19 286.459 0 0 fda RETINOL Results
382059 RobotSpike ZINC897240 -9.19 381.907 1 1 fda Results
408411 Discordia ZINC968301 -9.18 318.437 0 1 fda CHEMBL1741998 Results
368489 BogdanRoscaneanu ZINC3875332 -9.16 392.467 0 0 fda DEXAMETHASONE Results
373864 Alcedema ZINC4097427 -9.16 610.671 0 0 fda Results
368367 namesake ZINC2522669 -9.15 336.479 0 1 fda FENTANYL Results
381302 poweredge ZINC3875357 -9.15 358.434 0 0 fda PREDNISONE
prednisone and prednisolone derivatives
Results
403942 poweredge ZINC1530760 -9.15 341.451 0 1 fda CHEMBL1788268 Results
370060 ersatzBoffin ZINC3792417 -9.13 411.498 0 -1 fda SACUBITRIL
endopeptidase inhibitors
Results
362020 cosmoi7 ZINC643055 -9.12 381.69 0 0 fda CHEMBL1232474 Results
369560 cosmoi7 ZINC3873295 -9.12 429.134 2 1 fda OXICONAZOLE
systemic antifungals (miconazole type)
Results
368187 BogdanRoscaneanu ZINC3973334 -9.11 296.41 0 0 fda EXEMESTANE
antineoplastics (aromatase inhibitors)
Results
402940 poweredge ZINC968273 -9.11 301.474 0 1 fda CHEMBL1356870 Results
368544 PerfumedTree ZINC4212945 -9.08 508.558 0 0 fda DIFLUPREDNATE
prednisone and prednisolone derivatives
Results
382147 RobotSpike ZINC4428529 -9.07 314.469 0 0 fda PROGESTERONE
progestins; steroids (androgens, anabolics)
Results
18364 biocurious ZINC2036848 -9.06 376.369 2 0 fda RIBOFLAVIN Results
368514 cosmoi7 ZINC3876136 -9.05 392.467 0 0 fda BETAMETHASONE Results
369220 ersatzBoffin ZINC26011099 -9.05 545.629 1 1 fda OMACETAXINE MEPESUCCINATE Results
381235 RobotSpike ZINC7997897 -9.05 287.406 1 1 fda CHEMBL22075 Results
383400 RobotSpike ZINC3945984 -9.04 370.533 0 0 fda RIMEXOLONE
steroids (not prednisolone derivatives)
Results
366260 ersatzBoffin ZINC13540519 -9.03 362.466 0 0 fda HYDROCORTISONE
cortisone derivatives
Results
367165 ersatzBoffin ZINC96903163 -9.03 522.638 0 0 fda CHEMBL552128 Results
375283 poweredge ZINC403011 -9.03 328.412 0 1 fda CHEMBL28308 Results
128599 pavgup ZINC3830579 -9.02 352.454 0 1 fda CHEMBL1398637 Results
369196 ersatzBoffin ZINC1571009 -9.02 412.638 0 1 fda BENZETHONIUM
quaternary ammonium derivatives
Results
402539 sodak2hou ZINC100036536 -9.02 307.437 1 1 fda BENZTROPINE
atropine derivatives
Results
402598 Alcedema ZINC968274 -9.02 301.474 0 1 fda Results
381805 RobotSpike ZINC35801098 -9.0 392.499 0 1 fda INDACATEROL
bronchodilators (phenethylamine derivatives)
Results
418233 sodak2hou ZINC968263 -9.0 275.395 0 1 fda CYCLOBENZAPRINE Results
366639 cosmoi7 ZINC3881958 -8.98 337.463 0 0 fda DANAZOL Results
369974 magus ZINC3985982 -8.98 414.498 0 0 fda EPLERENONE
aldosterone antagonists (spironolactone type)
Results
379274 cosmoi7 ZINC3831405 -8.98 324.424 0 1 fda QUINIDINE Results
402463 revcbh ZINC1530613 -8.98 309.494 0 1 fda DICYCLOMINE Results
368705 ersatzBoffin ZINC1530695 -8.97 370.587 1 1 fda CHEMBL3133835 Results
381520 RobotSpike ZINC253498282 -8.97 312.453 0 0 fda Results
414678 poweredge ZINC3833821 -8.97 360.45 0 0 fda PREDNISOLONE
prednisone and prednisolone derivatives
Results
381963 RobotSpike ZINC1530977 -8.96 287.406 1 1 fda NAFTIFINE Results
408368 sodak2hou ZINC346 -8.96 318.437 0 1 fda Results
370285 cosmoi7 ZINC1319780 -8.95 467.65 1 1 fda CHEMBL560511 Results
380051 cosmoi7 ZINC1530974 -8.95 411.785 0 0 fda CHEMBL1317950 Results
381408 RobotSpike ZINC19361042 -8.95 390.958 0 1 fda Results
383092 RobotSpike ZINC3920266 -8.95 497.5 0 1 fda IDARUBICIN
antineoplastic antibiotics (daunorubicin type)
Results
370207 cosmoi7 ZINC3876023 -8.91 384.516 0 0 fda ETHYNODIOL DIACETATE Results
382274 RobotSpike ZINC118912517 -8.9 376.468 0 0 fda FLUOROMETHOLONE
steroids (not prednisolone derivatives)
Results
250642 tsparkle ZINC968257 -8.89 277.411 0 1 fda AMITRIPTYLINE
antidepressants (dibenzo[a,d]cycloheptane derivatives)
Results
402680 poweredge ZINC4028 -8.89 315.482 1 1 fda ROTIGOTINE Results
435855 poweredge ZINC1530689 -8.89 371.524 0 1 fda TAMOXIFEN Results
406973 sodak2hou ZINC1530973 -8.88 411.785 0 0 fda Results
365921 cosmoi7 ZINC3874715 -8.87 414.41 0 0 fda Results
jobID user zinc drawing bestDG weight ph charge subsets chembl results
833961 DrStrabismus ZINC104378692 -14.26 Results
834361 DrStrabismus ZINC104378687 -13.99 Results
778087 DrStrabismus ZINC217355510 -13.86 Results
861122 GLadi ZINC34707519 -13.41 Results
404694 sodak2hou ZINC242437511 -13.25 477.603 0 5 fda Results
307924 biocurious ZINC97971919 -13.2 578.617 1 -1 biogenic Results
834166 DrStrabismus ZINC104378690 -13.17 Results
431697 CNDSCN ZINC8552023 -13.09 416.646 0 0 in-man,endogenous Results
777968 DrStrabismus ZINC217355436 -13.08 Results
774458 MrBozo ZINC252694702 -13.01 427.538 1 1 biogenic Results
835176 DrStrabismus ZINC4726368 -12.96 Results
326518 docwho76 ZINC9463014 -12.91 Results
774548 MrBozo ZINC252694700 -12.89 427.538 1 1 biogenic Results
844421 LELE1964 ZINC67604456 -12.8 Results
313640 biocurious ZINC217456879 -12.72 561.694 0 1 biogenic Results
774349 k0r3 ZINC35454973 -12.65 438.429 3 -1 in-vitro,biogenic Results
866762 MorePower ZINC118925178 -12.62 Results
71700 MJ ZINC12859870 -12.61 Results
777698 DrStrabismus ZINC12654281 -12.61 Results
433547 biocurious ZINC4349785 -12.58 446.408 3 -1 in-man Results
377020 poweredge ZINC607986 -12.55 405.441 0 1 fda Results
866864 MorePower ZINC123432788 -12.36 Results
261894 CNDSCN3 ZINC102781214 -12.3 Results
312809 ersatzBoffin ZINC4024381 -12.28 427.538 0 1 biogenic Results
861535 GLadi ZINC34707523 -12.27 Results
324610 docwho76 ZINC245328325 -12.15 Results
1432 pavgup ZINC4823346 -12.03
11045 biocurious ZINC4707854 -12.02
450964 SethR@Parallax ZINC100822590 -12.02 610.751 1 1 in-man,endogenous Results
885210 DrStrabismus ZINC4403522 -12.01 528.624 1 1 in-vitro Results
251321 docwho76 ZINC12883026 -11.96 491.5 0 0 biogenic Results
914413 LELE1964 ZINC67604453 -11.96 Results
67682 bonzo_eh ZINC49601640 -11.95 362.375 0 -1 in-vitro,biogenic Results
450406 ersatzBoffin ZINC3802222 -11.95 415.533 1 1 in-man ZAMIFENACIN
muscarinic receptor antagonists
Results
913321 Voivodul ZINC77312772 -11.95 564.588 0 -1 in-vitro Results
376837 Alcedema ZINC5844788 -11.91 405.441 0 1 fda Results
320801 docwho76 ZINC35872582 -11.9 Results
449303 ersatzBoffin ZINC42806008 -11.9 610.751 1 1 in-man,endogenous ISOLIENSININE Results
802476 LELE1964 ZINC35271303 -11.9 412.435 0 0 in-vitro,biogenic Results
830579 namesake ZINC35454969 -11.9 438.429 3 -1 in-vitro,biogenic Results
859153 GLadi ZINC23469487 -11.9 Results
250347 CNDSCN ZINC12599899 -11.89 Results
249740 CNDSCN ZINC239539258 -11.86 Results
267488 MJ ZINC261491784 -11.86 Results
325059 docwho76 ZINC37381111 -11.86 Results
779783 deafterpene ZINC252694701 -11.86 427.538 1 1 biogenic Results
469622 ersatzBoffin ZINC3914813 -11.85 499.714 0 -1 endogenous,world TAUROURSODEOXYCHOLATE Results
254799 pavgup ZINC85406236 -11.84 Results
270057 BogdanRoscaneanu ZINC118918359 -11.84 Results
21589 biocurious ZINC584577867 -11.83
65957 1 ZINC35465314 -11.81 344.36 0 0 in-man,biogenic Results
774510 k0r3 ZINC35454967 -11.81 438.429 3 -1 in-vitro,biogenic Results
484259 allgrit ZINC3960759 -11.8 492.004 0 0 in-man BIRABRESIB
bromodomain and extra terminal motif (BET) inhibitors
Results
250738 anonymous ZINC217417938 -11.79 Results
260812 namesake ZINC3954314 -11.78 473.488 0 -1 in-vitro CHEMBL471225 Results
39036 biocurious ZINC4769191 -11.76 Results
263332 proyas ZINC12240919 -11.73 Results
338303 Alcedema ZINC257216692 -11.73 Results
314328 biocurious ZINC217338812 -11.72 537.697 0 -1 biogenic Results
363360 magus ZINC4213946 -11.72 405.441 0 1 fda Results
313110 biocurious ZINC85532205 -11.71 631.81 0 1 in-vitro,biogenic Results
251063 pavgup ZINC9641448 -11.7 Results
253125 HappyDude37 ZINC4950458 -11.7 Results
470996 PsiEx ZINC12494489 -11.7 384.648 0 0 endogenous,world Results
303980 cosmoPoweredge ZINC217430348 -11.69 Results
314395 biocurious ZINC8868674 -11.69 466.585 1 1 in-vitro,biogenic Results
251192 CNDSCN ZINC78970054 -11.68 Results
189763 namesake ZINC96268988 -11.65 465.594 3 0 in-vitro,biogenic Results
415463 anonymous ZINC253589638 -11.64 472.71 0 0 in-man,endogenous Results
412576 sodak2hou ZINC3927822 -11.63 492.689 0 1 fda LURASIDONE
antipsychotic with binding activity on serotonin (5HT2A) and dopamine (D2) receptors
Results
310989 biocurious ZINC79189935 -11.62 558.719 1 1 biogenic Results
866795 MorePower ZINC118925181 -11.61 Results
320893 docwho76 ZINC35872633 -11.59 Results
896602 PDW ZINC1501058313 -11.59 Results
61791 biocurious ZINC4769192 -11.58 Results
326615 docwho76 ZINC9465247 -11.56 Results
38982 biocurious ZINC4769194 -11.55 Results
256050 pavgup ZINC103643147 -11.55 Results
793099 Amanda Lou ZINC252463633 -11.55 426.462 0 0 in-vitro,biogenic Results
867135 PDW ZINC257346245 -11.55 Results
444186 deafterpene ZINC3916953 -11.53 484.513 3 -1 in-man MAZOKALIM
potassium channel agonists
Results
132550 deafterpene ZINC19739544 -11.52 Results
133051 pavgup ZINC245276832 -11.52 Results
250258 CNDSCN ZINC12599902 -11.52 Results
298870 ersatzBoffin ZINC585110199 -11.52 Results
321034 docwho76 ZINC98021426 -11.5 Results
66768 1 ZINC5411527 -11.48 Results
253506 pavgup ZINC34699021 -11.48 Results
435777 revcbh ZINC25782826 -11.47 510.392 0 0 in-man Results
778197 DrStrabismus ZINC217355353 -11.47 Results
65831 1 ZINC35465325 -11.45 344.36 0 0 in-man,biogenic Results
370939 sodak2hou ZINC4142087 -11.45 Results
777581 DrStrabismus ZINC35360970 -11.45 Results
38932 biocurious ZINC4769193 -11.42 Results
42146 biocurious ZINC100093656 -11.42 Results
134387 deafterpene ZINC634086 -11.42 Results
404686 Discordia ZINC242437513 -11.42 477.603 0 5 fda Results
320345 docwho76 ZINC35872630 -11.41 Results
130475 deafterpene ZINC252593504 -11.4 Results
250590 CNDSCN ZINC12599900 -11.39 Results
251112 pavgup ZINC9641513 -11.39 Results
306713 BogdanRoscaneanu ZINC118936284 -11.39 Results
328955 docwho76 ZINC103192867 -11.39 Results
445690 docwho76 ZINC3978003 -11.39 396.659 0 0 in-man Results
294558 proyas ZINC225434563 -11.37 Results
319856 docwho76 ZINC35872580 -11.37 Results
321437 proyas ZINC72357719 -11.36 Results
419383 Discordia ZINC2005305 -11.35 459.463 1 -2 biogenic,fda LEVOMEFOLIC ACID Results
896574 PDW ZINC1501058315 -11.35 Results
38571 biocurious ZINC19893933 -11.34 Results
250741 CNDSCN ZINC12599904 -11.34 Results
264616 namesake ZINC98006114 -11.34 Results
774921 cosmosdad ZINC97532604 -11.34 Results
891048 JNapoli01 ZINC3918045 -11.34 499.528 0 -1 in-vivo CGS-21680 Results
896526 PDW ZINC1501058314 -11.34 Results
909796 MorePower ZINC77272204 -11.34 572.567 0 -1 in-vitro Results
306784 BogdanRoscaneanu ZINC118936285 -11.33 Results
325943 docwho76 ZINC248089528 -11.33 Results
511584 allgrit ZINC26892598 -11.32 510.392 0 0 in-man Results
30267 anonymous ZINC217424866 -11.31
326061 docwho76 ZINC103074924 -11.3 Results
848019 namesake ZINC19331495 -11.3 Results
467397 ersatzBoffin ZINC2015559 -11.29 466.456 0 -2 world Results
469464 ersatzBoffin ZINC68150640 -11.29 592.691 0 5 world PLAZOMICIN
antibiotics (Micromonospora strains)
Results
490577 MrBozo ZINC4113799 -11.28 386.664 0 0 in-man Results
251582 pavgup ZINC20101021 -11.27 Results
251753 docwho76 ZINC12883432 -11.27 497.891 0 0 biogenic Results
369044 ersatzBoffin ZINC3918453 -11.27 475.523 0 -1 fda ERTAPENEM
antibacterial antibiotics, carbapenem derivatives
Results
454207 MrBozo ZINC597532 -11.26 426.56 1 1 in-man Results
504396 allgrit ZINC257411595 -11.26 516.675 0 -1 in-man,endogenous Results
816999 ersatzBoffin ZINC252463632 -11.26 426.462 0 0 in-vitro,biogenic Results
449160 deafterpene ZINC22462882 -11.25 435.011 1 0 in-man Results
481183 SethR@Parallax ZINC142085559 -11.23 510.392 0 0 in-man Results
817036 ersatzBoffin ZINC35271191 -11.23 426.462 0 0 in-vitro,biogenic Results
826849 bonzo_eh ZINC65371759 -11.23 Results
892579 GreedyBinder ZINC123432348 -11.22 Results
277496 fullerenedream ZINC104271707 -11.21 Results
320935 docwho76 ZINC35872631 -11.2 Results
439598 ersatzBoffin ZINC13333979 -11.2 388.457 0 0 in-man,biogenic Results
512270 allgrit ZINC70455322 -11.2 610.751 1 1 in-man,endogenous Results
116158 daaxst ZINC4704226 -11.19 Results
124683 bonzo_eh ZINC5889170 -11.19 Results
320842 docwho76 ZINC35872583 -11.18 Results
433911 anonymous ZINC35465319 -11.17 344.36 0 0 in-man,biogenic Results
748381 ersatzBoffin ZINC33958464 -11.17 Results
848732 DrStrabismus ZINC4897160 -11.17 Results
913271 Voivodul ZINC77312775 -11.17 564.588 0 -1 in-vitro Results
68367 bonzo_eh ZINC49601641 -11.16 362.375 0 -1 in-vitro,biogenic Results
306667 tsparkle ZINC72462856 -11.16 Results
330064 jdavid.net ZINC33667863 -11.16 Results
763995 Amanda Lou ZINC5890334 -11.16 394.376 2 0 in-vitro,biogenic Results
251013 pavgup ZINC9641321 -11.15 Results
290866 CNDSCN ZINC225499219 -11.15 Results
293672 Discordia ZINC27792982 -11.15 Results
329998 jdavid.net ZINC33647922 -11.15 Results
490617 SethR@Parallax ZINC4404494 -11.15 388.68 0 0 in-man,endogenous COPROSTANOL Results
2446 biocurious ZINC35465316 -11.14 344.36 0 0 in-man,biogenic
7021 biocurious ZINC49601634 -11.14 362.375 0 -1 in-vitro,biogenic Results
253707 pavgup ZINC34699020 -11.14 Results
850411 Evi1974 ZINC67885248 -11.14 Results
65660 1 ZINC35465311 -11.13 344.36 0 0 in-man,biogenic Results
320171 docwho76 ZINC35872510 -11.13 Results
320017 docwho76 ZINC35872509 -11.12 Results
277351 namesake ZINC100166593 -11.11 Results
256883 namesake ZINC12879156 -11.1 491.581 1 0 biogenic Results
490526 MrBozo ZINC257416694 -11.1 384.648 0 0 in-man,endogenous Results
843790 LELE1964 ZINC101700357 -11.09 CHEMBL3438852 Results
250889 docwho76 ZINC12874550 -11.07 463.446 0 0 biogenic Results
500104 allgrit ZINC252515358 -11.07 480.686 0 0 in-man,endogenous Results
5828 biocurious ZINC3839688 -11.06 356.423 0 1 in-vitro,biogenic Results
13352 biocurious ZINC3894276 -11.06 340.284 0 0 in-man,biogenic Results
303777 skoog ZINC106022384 -11.06 Results
798484 spod ZINC95369815 -11.06 Results
1788 pavgup ZINC71789694 -11.05 346.248 0 0 in-vitro
896628 PDW ZINC1501058316 -11.05 Results
124101 MJ ZINC253591435 -11.04 Results
251356 CNDSCN ZINC78970059 -11.04 Results
307947 biocurious ZINC70704470 -11.04 548.643 0 0 biogenic Results
858472 GLadi ZINC34707521 -11.03 Results
909653 MorePower ZINC72132524 -11.03 564.588 0 -1 in-vitro Results
255363 pavgup ZINC14878916 -11.01 Results
261679 CNDSCN3 ZINC102780385 -11.01 Results
268331 BogdanRoscaneanu ZINC35485181 -11.01 Results
322093 docwho76 ZINC98022877 -11.01 Results
345511 gerry_mander ZINC16450244 -11.01 Results
117482 daaxst ZINC36255032 -11.0 Results
64589 biocurious ZINC4544766 -10.99 370.31 0 0 in-vitro,biogenic Results
303458 gerry_mander ZINC12185648 -10.99 Results
308174 biocurious ZINC70704622 -10.99 592.048 0 1 biogenic Results
804335 LELE1964 ZINC252463648 -10.99 412.435 0 0 in-vitro,biogenic Results
887721 PDW ZINC257346247 -10.99 Results
309808 bonzo_eh ZINC67897181 -10.98 379.435 1 1 in-vitro,biogenic Results
404734 Alcedema ZINC242437512 -10.98 477.603 0 5 fda Results
504763 SethR@Parallax ZINC35465328 -10.98 344.36 0 0 in-man,biogenic Results
298907 ersatzBoffin ZINC585110196 -10.97 Results
312304 cosmoPoweredge ZINC261499228 -10.97 602.809 0 -1 in-man,endogenous Results
267190 deafterpene ZINC626131 -10.96 Results
327405 docwho76 ZINC253498239 -10.96 Results
491973 SethR@Parallax ZINC4097812 -10.96 412.702 0 0 in-man,endogenous ISOFUCOSTEROL Results
251848 MJ ZINC55211967 -10.95 Results
254871 pavgup ZINC33114818 -10.95 Results
368204 namesake ZINC12503068 -10.95 392.519 0 1 fda Results
368190 PerfumedTree ZINC100016084 -10.94 392.519 0 1 fda TROSPIUM
quaternary ammonium derivatives
Results
424812 CNDSCN ZINC256418832 -10.94 604.916 0 0 in-man,endogenous Results
435876 namesake ZINC26892592 -10.94 510.392 0 0 in-man Results
772069 k0r3 ZINC19879477 -10.94 Results
321335 docwho76 ZINC98021521 -10.93 Results
330411 docwho76 ZINC105041680 -10.93 Results
13102 biocurious ZINC1081597 -10.92
28858 biocurious ZINC390822435 -10.92
864892 cosmosdad ZINC3448390 -10.92 Results
867154 PDW ZINC257346246 -10.92 Results
28783 biocurious ZINC390822436 -10.91
123634 MJ ZINC253591439 -10.91 Results
367686 magus ZINC4629876 -10.91 396.659 0 0 endogenous,fda ERGOCALCIFEROL
vitamin D analogues
Results
257211 pavgup ZINC169679830 -10.9 Results
262294 CNDSCN3 ZINC102782395 -10.9 Results
267533 MJ ZINC15959240 -10.9 Results
864920 cosmosdad ZINC3448387 -10.9 Results
267598 MJ ZINC15959239 -10.89 Results
275509 MJ ZINC16033035 -10.89 Results
312773 BogdanRoscaneanu ZINC585295292 -10.89 Results
913150 Voivodul ZINC77312779 -10.89 564.588 0 -1 in-vitro Results
956561 DrStrabismus ZINC39738149 -10.89 Results
41814 biocurious ZINC4430764 -10.88 Results
307133 bonzo_eh ZINC67898339 -10.88 401.466 1 1 in-vitro,biogenic Results
320706 docwho76 ZINC35872632 -10.88 Results
383702 poweredge ZINC3990451 -10.88 496.633 0 -1 fda SELEXIPAG Results
282931 cosmosdad ZINC72194423 -10.86 324.467 0 0 in-vitro Results
308359 biocurious ZINC85489230 -10.86 486.696 0 -1 in-vitro,biogenic Results
324252 Discordia ZINC53143382 -10.86 Results
804059 LELE1964 ZINC252463650 -10.86 412.435 0 0 in-vitro,biogenic Results
251706 docwho76 ZINC12883793 -10.85 491.5 0 0 biogenic Results
324417 docwho76 ZINC245326008 -10.85 Results
462629 tzdian1 ZINC3781952 -10.85 469.669 0 1 world EBASTINE
antihistaminics (histamine-H1 receptor antagonists)
Results
64272 biocurious ZINC247335685 -10.84 Results
131808 MJ ZINC89261547 -10.84 Results