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receptors

Sars-cov2 Spike protein

This docking run is identical to spike-1, however the gridbox is moved further along the spike protein and focuses more on the groove where the alpha-helix of ACE2 contacts.

Receptor is chain E from 2AJF.pdb

alt text

See this system on Github

Results

Total jobs calculated : 323650
jobID user zinc drawing bestDG weight ph charge subsets chembl results
402232 Alcedema ZINC607986 -13.84 405.441 0 1 fda Results
412708 sodak2hou ZINC3927822 -13.47 492.689 0 1 fda LURASIDONE
antipsychotic with binding activity on serotonin (5HT2A) and dopamine (D2) receptors
Results
376943 Alcedema ZINC5844788 -13.23 405.441 0 1 fda Results
397162 revcbh ZINC3831151 -13.04 586.197 0 -1 fda MONTELUKAST
antiasthmatics/antiallergics: leukotriene receptor antagonists
Results
363463 magus ZINC4213946 -12.87 405.441 0 1 fda Results
432305 poweredge ZINC8220909 -12.28 665.733 0 0 fda NATAMYCIN
antibiotics (Streptomyces strains)
Results
369056 ersatzBoffin ZINC3918453 -12.1 475.523 0 -1 fda ERTAPENEM
antibacterial antibiotics, carbapenem derivatives
Results
397741 poweredge ZINC1530886 -11.79 514.629 2 0 fda TELMISARTAN
angiotensin II receptor antagonists
Results
383367 poweredge ZINC1996117 -11.77 426.56 1 1 fda DARIFENACIN
muscarinic receptor antagonists
Results
365777 namesake ZINC1548097 -11.68 426.488 0 1 fda ILOPERIDONE
antipsychotics (risperidone type)
Results
373837 poweredge ZINC3872566 -11.63 501.667 0 0 fda CHEMBL73285 Results
406467 Alcedema ZINC4099009 -11.55 656.662 0 0 fda TENIPOSIDE Results
403349 Alcedema ZINC8214619 -11.46 428.657 0 0 fda NANDROLONE DECANOATE
androgens; steroids (not prednisolone derivatives)
Results
319274 MrBozo ZINC2005305 -11.44 459.463 1 -2 fda LEVOMEFOLIC ACID Results
407357 sodak2hou ZINC36520252 -11.41 450.915 0 0 fda EMPAGLIFLOZIN
phlorozin derivatives, phenolic glycosides
Results
404847 Discordia ZINC242437513 -11.36 477.603 0 5 fda Results
368612 ersatzBoffin ZINC169621223 -11.31 822.953 0 -1 fda RIFAMPIN
tricyclic compounds; antibiotics (rifamycin derivatives)
Results
369892 ersatzBoffin ZINC3915154 -11.31 540.697 0 0 fda CICLESONIDE
topical steroids (acetal derivatives)
Results
367543 magus ZINC1481956 -11.29 426.492 0 1 fda CHEMBL2361980 Results
370033 revcbh ZINC3978005 -11.29 583.689 1 1 fda DIHYDROERGOTAMINE
ergot alkaloid derivatives
Results
373646 Alcedema ZINC3824921 -11.27 501.667 0 0 fda CHEMBL68381 Results
383956 poweredge ZINC3990451 -11.23 496.633 0 -1 fda SELEXIPAG Results
367760 magus ZINC4629876 -11.22 396.659 0 0 fda ERGOCALCIFEROL
vitamin D analogues
Results
368815 poweredge ZINC100003902 -11.07 513.677 1 1 fda MARAVIROC
antivirals; CCR5 antagonists
Results
373844 Alcedema ZINC4074875 -11.06 610.671 0 0 fda Results
407250 Discordia ZINC3812863 -10.98 405.495 0 0 fda LISINOPRIL
antihypertensives (ACE inhibitors)
Results
367593 ersatzBoffin ZINC4097343 -10.96 705.647 0 0 fda CHEMBL1835951 Results
369076 magus ZINC1612996 -10.95 586.689 0 1 fda IRINOTECAN
antineoplastics (camptothecine derivatives)
Results
412295 poweredge ZINC3951740 -10.94 628.814 0 0 fda LOPINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
432861 poweredge ZINC4214700 -10.93 426.492 0 1 fda Results
406728 sodak2hou ZINC3938684 -10.91 588.562 0 0 fda ETOPOSIDE Results
441261 poweredge ZINC43450326 -10.9 545.629 1 1 fda Results
364749 namesake ZINC242437511 -10.86 477.603 0 5 fda Results
365068 poweredge ZINC1895505 -10.84 470.613 0 1 fda BAZEDOXIFENE
antiestrogens of the clomifene and tamoxifen groups
Results
427924 poweredge ZINC96903163 -10.84 522.638 0 0 fda CHEMBL552128 Results
396317 Discordia ZINC2032615 -10.83 391.294 0 0 fda CHEMBL600685 Results
415479 poweredge ZINC3784182 -10.83 412.529 0 -1 fda ADAPALENE Results
369563 BogdanRoscaneanu ZINC4083606 -10.82 428.613 0 0 fda HYDROXYPROGESTERONE CAPROATE
progestins; steroids (androgens, anabolics)
Results
373913 Alcedema ZINC4097427 -10.75 610.671 0 0 fda Results
398785 Discordia ZINC100004343 -10.74 528.951 0 1 fda Results
403396 Discordia ZINC4095858 -10.73 430.717 0 0 fda VITAMIN E Results
369766 namesake ZINC3914596 -10.72 670.855 1 1 fda SAQUINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
388013 poweredge ZINC3925861 -10.71 492.591 0 0 fda VORAPAXAR
PAR1 antagonists
Results
401010 poweredge ZINC27990463 -10.7 693.732 0 1 fda LOMITAPIDE
microsomal triglyceride transfer protein (MTP) inhibitors
Results
399887 poweredge ZINC4655029 -10.69 555.516 0 1 fda BEDAQUILINE
antibiotics, diarylquinoline structure
Results
417327 sodak2hou ZINC538312 -10.65 410.493 0 1 fda RISPERIDONE
antipsychotics (risperidone type)
Results
367784 ersatzBoffin ZINC4474460 -10.62 384.648 0 0 fda CHOLECALCIFEROL
vitamin D analogues
Results
369264 tangerinedream ZINC3938704 -10.62 543.525 0 1 fda EPIRUBICIN
antineoplastic antibiotics (daunorubicin type)
Results
439770 poweredge ZINC608382 -10.61 391.467 0 0 fda FLAVOXATE Results
369601 poweredge ZINC11679756 -10.57 442.475 0 -2 fda ELTROMBOPAG
thrombopoetin agonists
Results
406375 Alcedema ZINC4099008 -10.57 656.662 0 0 fda Results
370221 Cistatech ZINC3833846 -10.56 567.796 1 1 fda NELFINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
396409 Discordia ZINC1850376 -10.54 391.294 0 0 fda CHEMBL589356 Results
367921 ersatzBoffin ZINC43450324 -10.53 545.629 1 1 fda Results
433112 poweredge ZINC3978006 -10.52 470.334 0 -1 fda DICLOXACILLIN
penicillins
Results
369584 magus ZINC14210642 -10.51 568.542 2 0 fda AZILSARTAN MEDOXOMIL
angiotensin II receptor antagonists
Results
369987 BogdanRoscaneanu ZINC3986735 -10.51 488.017 0 0 fda DASATINIB
tyrosine kinase inhibitors
Results
367790 tangerinedream ZINC4097344 -10.47 705.647 0 0 fda CHEMBL1835950 Results
404115 poweredge ZINC1530760 -10.47 341.451 0 1 fda CHEMBL1788268 Results
387711 poweredge ZINC12503187 -10.43 498.586 0 0 fda CONIVAPTAN
vasopressin receptor antagonists
Results
368177 ersatzBoffin ZINC253632968 -10.41 749.956 0 -1 fda Results
396571 poweredge ZINC1850377 -10.41 391.294 0 0 fda CHEMBL601463 Results
366376 namesake ZINC43207238 -10.4 444.524 0 0 fda CANAGLIFLOZIN
phlorozin derivatives, phenolic glycosides
Results
409084 poweredge ZINC100013500 -10.4 517.776 0 1 fda RETAPAMULIN
antibacterials, pleuromulin derivatives
Results
396220 poweredge ZINC601250 -10.39 397.758 0 0 fda Results
406171 poweredge ZINC538275 -10.39 473.594 0 1 fda RALOXIFENE
antiestrogens of the clomifene and tamoxifen groups
Results
407802 Discordia ZINC4641374 -10.39 412.658 0 0 fda DOXERCALCIFEROL
vitamin D analogues
Results
407757 sodak2hou ZINC4474414 -10.33 400.647 0 0 fda CALCIFEDIOL
vitamin D analogues
Results
369262 ersatzBoffin ZINC26011099 -10.32 545.629 1 1 fda OMACETAXINE MEPESUCCINATE Results
404430 Alcedema ZINC1552174 -10.32 369.469 0 0 fda CILOSTAZOL Results
416938 sodak2hou ZINC95619100 -10.32 427.545 0 0 fda Results
367695 ersatzBoffin ZINC1853205 -10.31 430.545 0 -1 fda TRANDOLAPRIL
antihypertensives (ACE inhibitors)
Results
370457 poweredge ZINC3917708 -10.31 527.526 0 1 fda DAUNORUBICIN
antineoplastic antibiotics (daunorubicin type)
Results
417706 Discordia ZINC1530579 -10.31 406.482 0 1 fda CHEMBL3799125 Results
396389 poweredge ZINC1850374 -10.3 391.294 0 0 fda CHEMBL589355 Results
376383 poweredge ZINC1850 -10.29 337.419 0 0 fda OLOPATADINE
tricyclic histaminic-H1 receptor antagonists, loratadine derivatives
Results
366394 magus ZINC242437512 -10.25 477.603 0 5 fda Results
418899 poweredge ZINC1530580 -10.25 406.482 0 1 fda CHEMBL3798017 Results
365281 poweredge ZINC4097286 -10.23 430.541 0 0 fda Results
436690 poweredge ZINC19796087 -10.22 479.533 0 1 fda CHEMBL1598680 Results
424027 poweredge ZINC85537053 -10.18 807.89 0 0 fda DOCETAXEL
antineoplastics, taxane derivatives
Results
368610 ersatzBoffin ZINC3977777 -10.17 502.579 0 0 fda AMCINONIDE
topical steroids (acetal derivatives)
Results
369174 ersatzBoffin ZINC601317 -10.15 424.544 0 0 fda DIFENOXIN
fluoroquinolone derivatives, nonantibacterial indications (e.g., antineoplastic antibiotics)
Results
398825 poweredge ZINC100004345 -10.14 528.951 0 1 fda Results
397013 Discordia ZINC11615926 -10.13 558.65 0 -1 fda CHEMBL3392029 Results
406562 sodak2hou ZINC3938751 -10.12 430.541 0 0 fda DEXBUDESONIDE
topical steroids (acetal derivatives)
Results
426107 poweredge ZINC3830716 -10.12 452.598 0 1 fda DIPHENOXYLATE Results
375894 Alcedema ZINC11615927 -10.11 558.65 0 -1 fda Results
368592 gilchesterton ZINC3873160 -10.1 422.92 0 0 fda LOSARTAN
angiotensin II receptor antagonists
Results
374457 poweredge ZINC3944422 -10.1 720.962 0 0 fda RITONAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
366535 magus ZINC1530601 -10.09 405.969 0 1 fda ENCLOMIPHENE Results
405737 sodak2hou ZINC4175630 -10.09 461.556 0 1 fda PIMOZIDE Results
369565 skoogPC ZINC3977978 -10.05 494.531 0 0 fda FLUOCINONIDE
topical steroids (acetal derivatives)
Results
373569 Alcedema ZINC38945666 -10.02 530.661 0 0 fda Results
362984 cosmoi7 ZINC897251 -9.99 379.5 0 1 fda CHEMBL107316 Results
368306 PerfumedTree ZINC100016084 -9.99 392.519 0 1 fda TROSPIUM
quaternary ammonium derivatives
Results
383365 RobotSpike ZINC3861599 -9.99 416.583 0 0 fda SPIRONOLACTONE Results
375996 cosmoi7 ZINC11681563 -9.98 578.601 0 1 fda NETUPITANT
tachykinin (neurokinin) receptor antagonists: NK1 receptor antagonists
Results
368494 poweredge ZINC4097308 -9.97 436.52 0 0 fda FLURANDRENOLIDE
androgens
Results
416107 Discordia ZINC3816287 -9.97 386.48 0 0 fda AXITINIB
tyrosine kinase inhibitors
Results
417720 sodak2hou ZINC19228902 -9.97 403.979 1 1 fda PERPHENAZINE Results
367295 cosmoi7 ZINC3831332 -9.96 450.707 0 0 fda PHYTONADIONE Results
388094 poweredge ZINC3920657 -9.96 475.629 0 0 fda ULIPRISTAL ACETATE
steriodal compounds acting on progesterone receptors (excluding -gest- compounds)
Results
416583 poweredge ZINC11616882 -9.96 386.48 0 0 fda Results
367171 BogdanRoscaneanu ZINC3810860 -9.94 409.432 0 0 fda EZETIMIBE
antihyperlipidaemics, acyl CoA: cholesterol acyltransferase (ACAT)inhibitors
Results
368315 namesake ZINC12503068 -9.94 392.519 0 1 fda Results
366727 poweredge ZINC1319780 -9.92 467.65 1 1 fda CHEMBL560511 Results
406642 Alcedema ZINC22448696 -9.92 613.803 0 0 fda INDINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
367845 cosmoi7 ZINC601229 -9.9 381.907 1 1 fda Results
369865 ersatzBoffin ZINC30691727 -9.9 484.663 0 1 fda ACLIDINIUM
quaternary ammonium derivatives: muscarinic receptor antagonists
Results
439949 poweredge ZINC897240 -9.9 381.907 1 1 fda Results
411365 Discordia ZINC3938746 -9.89 608.688 0 0 fda RESERPINE
tricyclic compounds; Rauwolfia alkaloid derivatives
Results
362752 namesake ZINC3920719 -9.88 558.65 0 -1 fda ATORVASTATIN
enzyme inhibitors: antihyperlipidemics (HMG-CoA inhibitors)
Results
377594 Alcedema ZINC538658 -9.88 448.95 0 0 fda Results
369246 cosmoi7 ZINC64033452 -9.87 452.413 0 -1 fda LUMACAFTOR
cystic fibrosis transmembrane regulator (CFTR) protein modulators
Results
370354 magus ZINC1542113 -9.85 441.535 0 1 fda VILAZODONE Results
424544 Discordia ZINC19361042 -9.85 390.958 0 1 fda Results
433425 poweredge ZINC3991624 -9.85 486.436 0 1 fda VILANTEROL
bronchodilators (phenethylamine derivatives)
Results
407240 sodak2hou ZINC3819138 -9.84 408.878 0 0 fda DAPAGLIFLOZIN
phlorozin derivatives, phenolic glycosides
Results
408007 poweredge ZINC100015048 -9.83 416.646 0 0 fda CALCITRIOL
vitamin D analogues
Results
404267 Alcedema ZINC3813083 -9.82 340.443 0 1 fda CHEMBL1437876 Results
436836 poweredge ZINC84400879 -9.82 479.533 0 1 fda CHEMBL1314450 Results
377919 poweredge ZINC1530759 -9.79 341.451 0 1 fda CHEMBL1322675 Results
382255 RobotSpike ZINC164760756 -9.79 749.956 0 -1 fda Results
406647 Alcedema ZINC4212809 -9.78 441.524 0 0 fda DEFLAZACORT Results
408283 poweredge ZINC3921872 -9.78 412.614 0 0 fda CALCIPOTRIENE
vitamin D analogues
Results
373792 Alcedema ZINC3995809 -9.76 606.782 0 0 fda Results
369686 ersatzBoffin ZINC3871960 -9.75 547.595 0 -1 fda Results
367085 cosmoi7 ZINC3780893 -9.73 418.574 0 0 fda SIMVASTATIN
enzyme inhibitors: antihyperlipidemics (HMG-CoA inhibitors)
Results
368575 cosmoi7 ZINC3782818 -9.73 440.463 0 -1 fda CANDESARTAN
angiotensin II receptor antagonists
Results
403392 Alcedema ZINC606383 -9.73 437.779 0 0 fda Results
436098 poweredge ZINC1550499 -9.72 357.419 0 1 fda CINACALCET
calcium receptor agonists
Results
369922 skoogPC ZINC60325170 -9.71 531.316 0 1 fda COBIMETINIB
tyrosine kinase inhibitors: mitogen-activated protein (MAP) kinase inhibitors
Results
389319 Discordia ZINC34051848 -9.71 298.455 0 1 fda VORTIOXETINE
antidepressants (fluoxetine type): thioether derivatives
Results
381648 RobotSpike ZINC3872931 -9.7 428.54 0 0 fda IRBESARTAN
angiotensin II receptor antagonists
Results
405820 Alcedema ZINC537928 -9.68 477.048 0 1 fda LOPERAMIDE Results
378303 Alcedema ZINC449 -9.67 340.443 0 1 fda CHEMBL3306998 Results
407018 Discordia ZINC1530974 -9.67 411.785 0 0 fda CHEMBL1317950 Results
368058 ersatzBoffin ZINC601316 -9.66 352.454 0 1 fda Results
369510 cosmoi7 ZINC3931840 -9.65 517.776 0 1 fda Results
373713 Alcedema ZINC3926298 -9.65 606.782 0 0 fda Results
367213 magus ZINC34089131 -9.64 433.592 0 0 fda ULIPRISTAL
steriodal compounds acting on progesterone receptors (excluding -gest- compounds)
Results
382430 RobotSpike ZINC538550 -9.63 412.946 0 0 fda ZIPRASIDONE
antipsychotic with binding activity on serotonin (5HT2A) and dopamine (D2) receptors
Results
370488 poweredge ZINC1530788 -9.62 468.37 0 -2 fda CROMOLYN Results
381024 poweredge ZINC22448983 -9.61 530.456 0 1 fda BOSUTINIB
tyrosine kinase inhibitors
Results
381810 RobotSpike ZINC5029557 -9.61 386.532 0 0 fda MEDROXYPROGESTERONE ACETATE
progestins; steroids (androgens, anabolics)
Results
366856 cosmoi7 ZINC19594557 -9.6 390.958 0 1 fda CHEMBL1440522 Results
369032 HappyDude37 ZINC3977981 -9.6 452.494 0 0 fda FLUOCINOLONE ACETONIDE
steroids (not prednisolone derivatives); topical steroids (acetal derivatives)
Results
369821 tangerinedream ZINC402830 -9.6 343.898 1 1 fda CLEMASTINE
antihistaminics (histamine-H1 receptor antagonists)
Results
370210 cosmoi7 ZINC3873936 -9.6 532.472 0 1 fda TERCONAZOLE
systemic antifungals (miconazole type)
Results
368712 BogdanRoscaneanu ZINC602128 -9.59 388.895 0 0 fda BEPOTASTINE
antihistaminics (histamine-H1 receptor antagonists)
Results
369950 magus ZINC13911941 -9.59 416.646 0 0 fda PARICALCITOL
vitamin D analogues
Results
366878 poweredge ZINC968264 -9.58 287.406 0 1 fda CYPROHEPTADINE Results
367385 ersatzBoffin ZINC14879992 -9.57 457.483 0 -1 fda MINOCYCLINE
antibiotics (tetracycline derivatives)
Results
370177 cosmoi7 ZINC34608502 -9.57 428.596 0 1 fda UMECLIDINIUM
quaternary ammonium derivatives: muscarinic receptor antagonists
Results
381089 RobotSpike ZINC14164617 -9.56 420.634 0 -1 fda OBETICHOLIC ACID Results
383460 RobotSpike ZINC1530975 -9.56 317.476 1 1 fda BUTENAFINE Results
410327 sodak2hou ZINC12468792 -9.56 432.601 0 0 fda LATANOPROST
prostaglandins
Results
365806 tangerinedream ZINC85540215 -9.54 791.115 0 0 fda Results
403409 sodak2hou ZINC2016037 -9.54 437.779 0 0 fda ARASERTACONAZOLE
systemic antifungals (miconazole type)
Results
370075 Alcedema ZINC3938482 -9.52 700.791 0 0 fda POSACONAZOLE
systemic antifungals (miconazole type)
Results
365691 cosmoi7 ZINC84758479 -9.51 433.577 0 1 fda BREXPIPRAZOLE
antiulcer agents (benzimidazole derivatives)
Results
368872 magus ZINC4212851 -9.51 416.514 0 0 fda DESONIDE
topical steroids (acetal derivatives)
Results
405797 Discordia ZINC35902489 -9.51 450.345 0 1 fda CRIZOTINIB
tyrosine kinase inhibitors
Results
368279 cosmoi7 ZINC3812841 -9.5 404.547 0 0 fda LOVASTATIN
enzyme inhibitors: antihyperlipidemics (HMG-CoA inhibitors)
Results
359696 cosmoi7 ZINC68204830 -9.49 738.89 0 0 fda DACLATASVIR
antivirals: NS5A inhibitors
Results
367225 poweredge ZINC2212 -9.49 343.217 0 0 fda TRIAZOLAM Results
368778 skoogPC ZINC3992105 -9.49 538.584 0 0 fda FLUTICASONE FUROATE Results
382926 RobotSpike ZINC100013130 -9.49 570.649 0 0 fda MIDOSTAURIN Results
407036 sodak2hou ZINC1530973 -9.49 411.785 0 0 fda Results
362986 magus ZINC597013 -9.48 379.5 0 1 fda CHEMBL108726 Results
368721 cosmoi7 ZINC4097404 -9.48 557.84 0 2 fda VECURONIUM
quaternary ammonium derivatives: neuromuscular blocking agents
Results
435916 poweredge ZINC1530689 -9.48 371.524 0 1 fda TAMOXIFEN Results
376332 poweredge ZINC49036447 -9.47 450.93 0 0 fda SUVOREXANT Results
382931 RobotSpike ZINC3938652 -9.47 488.577 0 0 fda PREDNICARBATE
prednisone and prednisolone derivatives
Results
367996 ersatzBoffin ZINC28957444 -9.46 522.578 0 0 fda TICAGRELOR
platelet aggregation inhibitors
Results
382362 RobotSpike ZINC3817234 -9.45 513.677 1 1 fda CHEMBL584744 Results
417198 Discordia ZINC95619101 -9.45 427.545 0 0 fda CHEMBL1357016 Results
370242 magus ZINC27428713 -9.43 534.432 0 -1 fda APREPITANT
tachykinin (neurokinin) receptor antagonists: NK1 receptor antagonists
Results
382930 cosmoi7 ZINC28639340 -9.43 700.791 0 0 fda Results
jobID user zinc drawing bestDG weight ph charge subsets chembl results
861469 GLadi ZINC34707519 -14.82 Results
320482 1 ZINC97971919 -14.6 578.617 1 -1 biogenic Results
512354 allgrit ZINC70455322 -14.6 610.751 1 1 in-man,endogenous Results
512226 allgrit ZINC100822590 -14.55 610.751 1 1 in-man,endogenous Results
835594 DrStrabismus ZINC4726368 -14.36 Results
402232 Alcedema ZINC607986 -13.84 405.441 0 1 fda Results
318292 ersatzBoffin ZINC85531172 -13.78 782.974 0 0 in-vitro,biogenic Results
780056 GreedyBinder ZINC67604456 -13.72 Results
865978 MorePower ZINC257349820 -13.67 Results
780195 GreedyBinder ZINC67604453 -13.55 Results
412708 sodak2hou ZINC3927822 -13.47 492.689 0 1 fda LURASIDONE
antipsychotic with binding activity on serotonin (5HT2A) and dopamine (D2) receptors
Results
481797 poweredge ZINC256418832 -13.43 604.916 0 0 in-man,endogenous Results
834457 DrStrabismus ZINC104378687 -13.41 Results
323369 cosmoPoweredge ZINC252679294 -13.37 Results
866811 MorePower ZINC118925181 -13.37 Results
774503 MrBozo ZINC252694702 -13.34 427.538 1 1 biogenic Results
307497 bonzo_eh ZINC79189935 -13.32 558.719 1 1 biogenic Results
376943 Alcedema ZINC5844788 -13.23 405.441 0 1 fda Results
448359 ersatzBoffin ZINC100822831 -13.15 624.778 0 2 in-man,endogenous Results
866778 MorePower ZINC118925178 -13.13 Results
834063 DrStrabismus ZINC104378692 -13.09 Results
326674 cosmoPoweredge ZINC253501546 -13.06 Results
446230 skoogPC ZINC247853265 -13.06 664.833 0 -1 in-man,endogenous Results
397162 revcbh ZINC3831151 -13.04 586.197 0 -1 fda MONTELUKAST
antiasthmatics/antiallergics: leukotriene receptor antagonists
Results
323763 cosmoPoweredge ZINC252679296 -13.0 Results
463911 skoogPC ZINC8214690 -12.96 456.711 0 0 world TESTOSTERONE UNDECANOATE
steroids (androgens, anabolics)
Results
469633 ersatzBoffin ZINC3914813 -12.94 499.714 0 -1 endogenous,world TAUROURSODEOXYCHOLATE Results
313644 biocurious ZINC217456879 -12.93 561.694 0 1 biogenic Results
309626 biocurious ZINC85532205 -12.91 631.81 0 1 in-vitro,biogenic Results
308564 biocurious ZINC150368142 -12.9 Results
313847 lappyToppy ZINC150360665 -12.9 726.998 0 -1 in-vitro,biogenic Results
363463 magus ZINC4213946 -12.87 405.441 0 1 fda Results
774690 MrBozo ZINC252694701 -12.87 427.538 1 1 biogenic Results
451013 allgrit ZINC3954654 -12.86 499.459 0 -1 in-man CHEMBL1623747 Results
481013 allgrit ZINC299817032 -12.85 639.83 0 0 in-man Results
896588 PDW ZINC1501058315 -12.85 Results
506633 allgrit ZINC25782832 -12.82 510.392 0 0 in-man Results
511699 MrBozo ZINC25782826 -12.78 510.392 0 0 in-man Results
804129 LELE1964 ZINC252463650 -12.75 412.435 0 0 in-vitro,biogenic Results
312899 biocurious ZINC4096650 -12.72 596.724 3 0 biogenic,in-vivo CHEMBL1187468 Results
896613 PDW ZINC1501058313 -12.68 Results
764049 Amanda Lou ZINC5890334 -12.67 394.376 2 0 in-vitro,biogenic Results
748376 ersatzBoffin ZINC33958463 -12.64 Results
830822 scerbera ZINC253499960 -12.64 Results
850662 sodak2hou ZINC123414682 -12.64 Results
914709 anonymous ZINC585294720 -12.63 Results
308292 biocurious ZINC8868674 -12.57 466.585 1 1 in-vitro,biogenic Results
866156 MorePower ZINC49181136 -12.57 520.487 0 -1 in-vitro,biogenic Results
481194 allgrit ZINC256418849 -12.53 604.916 0 0 in-man,endogenous Results
913450 Voivodul ZINC77319564 -12.53 578.615 0 -1 in-vitro Results
861599 GLadi ZINC34707523 -12.52 Results
325884 docwho76 ZINC248070688 -12.51 Results
752578 sd70mac ZINC239309359 -12.49 394.376 2 0 in-vitro,biogenic Results
896542 PDW ZINC1501058314 -12.49 Results
748387 ersatzBoffin ZINC33958464 -12.47 Results
816997 ersatzBoffin ZINC252463632 -12.46 426.462 0 0 in-vitro,biogenic Results
866884 MorePower ZINC123432788 -12.45 Results
752155 sd70mac ZINC239309357 -12.41 394.376 2 0 in-vitro,biogenic Results
311986 bonzo_eh ZINC59721088 -12.39 568.718 1 1 in-man,endogenous Results
866122 MorePower ZINC49181140 -12.38 520.487 0 -1 in-vitro,biogenic Results
469687 allgrit ZINC253609315 -12.35 576.859 0 0 in-man,endogenous Results
834263 DrStrabismus ZINC104378690 -12.35 Results
449298 ersatzBoffin ZINC206658454 -12.3 610.751 1 2 in-man,endogenous Results
432305 poweredge ZINC8220909 -12.28 665.733 0 0 endogenous,fda NATAMYCIN
antibiotics (Streptomyces strains)
Results
308229 biocurious ZINC635406 -12.26 Results
317002 yomendayo ZINC85631809 -12.26 685.886 0 1 in-vitro,biogenic Results
774373 k0r3 ZINC35454973 -12.26 438.429 3 -1 in-vitro,biogenic Results
448506 ersatzBoffin ZINC85432018 -12.25 687.868 0 0 in-man,biogenic OLEANDOMYCIN
antibiotics (Streptomyces strains)
Results
410541 suetonius76 ZINC253609313 -12.22 576.859 0 0 in-man,endogenous Results
415856 anonymous ZINC253589638 -12.21 472.71 0 0 in-man,endogenous Results
917971 JNapoli01 ZINC4403522 -12.21 528.624 1 1 in-vitro Results
933567 DrStrabismus ZINC253529620 -12.2 562.524 0 0 in-vitro,biogenic Results
325998 docwho76 ZINC248089528 -12.17 Results
913346 Voivodul ZINC77312772 -12.16 564.588 0 -1 in-vitro Results
319230 docwho76 ZINC97995667 -12.12 Results
331052 docwho76 ZINC12955146 -12.12 Results
867166 PDW ZINC257346246 -12.12 Results
320250 docwho76 ZINC35872510 -12.1 Results
369056 ersatzBoffin ZINC3918453 -12.1 475.523 0 -1 fda ERTAPENEM
antibacterial antibiotics, carbapenem derivatives
Results
425050 anonymous ZINC49888788 -12.1 576.859 0 0 in-man,biogenic SITOGLUSIDE Results
453528 ersatzBoffin ZINC3913909 -12.1 627.643 0 1 in-man PIRARUBICIN Results
433944 ersatzBoffin ZINC35465325 -12.09 344.36 0 0 in-man,biogenic Results
436950 namesake ZINC4215044 -12.09 452.679 0 0 in-man BOLDENONE UNDECYLENATE Results
435385 revcbh ZINC253599728 -12.08 578.787 0 0 in-man,endogenous Results
801986 cosmosdad ZINC238881514 -12.08 560.523 0 0 in-vitro,biogenic Results
324664 docwho76 ZINC245328325 -12.07 Results
327252 cosmoPoweredge ZINC253501545 -12.07 Results
319902 ersatzBoffin ZINC150359303 -12.06 794.985 0 0 in-vitro,biogenic Results
430107 ersatzBoffin ZINC2557433 -12.05 428.701 0 0 in-man,endogenous Results
913121 Voivodul ZINC77312759 -12.05 592.642 0 -1 in-vitro Results
323947 docwho76 ZINC9111459 -12.04 Results
449342 ersatzBoffin ZINC100822678 -12.03 610.751 1 2 in-man,endogenous Results
318166 ActaEFabula ZINC504664398 -12.0 Results
329142 docwho76 ZINC103192870 -12.0 Results
325010 cosmoPoweredge ZINC409268495 -11.99 Results
317172 Cistatech ZINC150349211 -11.98 752.932 1 1 in-vitro,biogenic Results
434387 ersatzBoffin ZINC2570828 -11.98 510.392 0 0 in-man Results
436094 biocurious ZINC95627889 -11.98 816.943 1 1 in-man Results
433969 ersatzBoffin ZINC35465314 -11.97 344.36 0 0 in-man,biogenic Results
817039 ersatzBoffin ZINC35271191 -11.97 426.462 0 0 in-vitro,biogenic Results
831167 scerbera ZINC253499961 -11.97 Results
847458 ersatzBoffin ZINC245227886 -11.97 Results
330507 docwho76 ZINC105041336 -11.95 Results
330579 docwho76 ZINC105042047 -11.94 Results
498572 SethR@Parallax ZINC19685816 -11.92 442.684 0 0 in-man CHEMBL1473654 Results
320437 docwho76 ZINC35872630 -11.91 Results
858504 GLadi ZINC34707521 -11.91 Results
307821 bonzo_eh ZINC253499163 -11.9 Results
449376 ersatzBoffin ZINC410428659 -11.9 610.751 1 2 in-man,endogenous Results
830799 namesake ZINC35454967 -11.9 438.429 3 -1 in-vitro,biogenic Results
885141 DrStrabismus ZINC4403531 -11.9 528.624 1 1 in-vitro Results
764301 k0r3 ZINC35454983 -11.88 388.413 0 -1 in-vitro,biogenic Results
771845 k0r3 ZINC257261392 -11.88 Results
484276 allgrit ZINC3960759 -11.87 492.004 0 0 in-man BIRABRESIB
bromodomain and extra terminal motif (BET) inhibitors
Results
774946 cosmosdad ZINC97532604 -11.87 Results
444668 gerry_mander ZINC8214547 -11.86 576.771 0 0 in-man,biogenic DISOGLUSIDE Results
874210 Soi-disant ZINC8764566 -11.86 Results
891422 JNapoli01 ZINC3918045 -11.86 499.528 0 -1 in-vivo CGS-21680 Results
431658 ersatzBoffin ZINC1532098 -11.85 419.908 0 0 in-man,endogenous Results
426640 biocurious ZINC248338810 -11.84 488.709 0 -1 in-man,endogenous Results
851052 sodak2hou ZINC67912049 -11.84 538.502 0 -1 in-vitro,biogenic Results
314239 biocurious ZINC252586366 -11.83 Results
774482 k0r3 ZINC35454969 -11.83 438.429 3 -1 in-vitro,biogenic Results
481660 poweredge ZINC3872912 -11.82 562.15 0 0 in-man CHEMBL3186966 Results
308419 cosmoPoweredge ZINC95913372 -11.81 584.885 0 0 in-vitro,biogenic Results
442044 namesake ZINC118917052 -11.81 550.645 0 0 in-man Results
885405 DrStrabismus ZINC4403528 -11.81 528.624 1 1 in-vitro Results
892476 GreedyBinder ZINC123429536 -11.8 Results
397741 poweredge ZINC1530886 -11.79 514.629 2 0 fda TELMISARTAN
angiotensin II receptor antagonists
Results
323779 docwho76 ZINC9014198 -11.78 Results
383367 poweredge ZINC1996117 -11.77 426.56 1 1 fda DARIFENACIN
muscarinic receptor antagonists
Results
331395 jdavid.net ZINC35080030 -11.75 Results
500573 MrBozo ZINC43068605 -11.75 480.686 0 0 in-man Results
804403 LELE1964 ZINC252463648 -11.75 412.435 0 0 in-vitro,biogenic Results
832087 scerbera ZINC53682936 -11.75 602.641 0 0 world LYMECYCLINE
antibiotics (tetracycline derivatives)
Results
848422 ersatzBoffin ZINC4129504 -11.75 Results
330101 jdavid.net ZINC33667863 -11.74 Results
819921 LELE1964 ZINC408524489 -11.74 Results
864908 cosmosdad ZINC3448390 -11.73 Results
322067 docwho76 ZINC98022876 -11.71 Results
329457 docwho76 ZINC53356843 -11.7 Results
504450 allgrit ZINC257411595 -11.7 516.675 0 -1 in-man,endogenous Results
320786 1 ZINC150348227 -11.68 719.919 0 1 in-vitro,biogenic Results
365777 namesake ZINC1548097 -11.68 426.488 0 1 fda ILOPERIDONE
antipsychotics (risperidone type)
Results
429534 CNDSCN ZINC257416693 -11.68 384.648 0 0 in-man,endogenous Results
802145 cosmosdad ZINC238881516 -11.68 560.523 0 0 in-vitro,biogenic Results
802503 LELE1964 ZINC35271303 -11.68 412.435 0 0 in-vitro,biogenic Results
850626 sodak2hou ZINC123414410 -11.65 Results
896641 PDW ZINC1501058316 -11.65 Results
469654 SethR@Parallax ZINC100306588 -11.64 612.804 0 0 in-man NEMADECTIN
antiparasitics (ivermectin type)
Results
842544 JNapoli01 ZINC31165509 -11.64 466.439 0 0 in-vitro,biogenic Results
322276 docwho76 ZINC8744449 -11.63 Results
373837 poweredge ZINC3872566 -11.63 501.667 0 0 fda CHEMBL73285 Results
322328 docwho76 ZINC8744450 -11.62 Results
432573 ersatzBoffin ZINC43068603 -11.62 480.686 0 0 in-man Results
811346 JNapoli01 ZINC2733012 -11.62 Results
819850 scerbera ZINC36353861 -11.61 Results
367846 gerry_mander ZINC33958462 -11.6 Results
449316 ersatzBoffin ZINC42806008 -11.6 610.751 1 1 in-man,endogenous ISOLIENSININE Results
314598 deafterpene ZINC102709052 -11.59 Results
329632 jdavid.net ZINC33547150 -11.59 Results
307383 bonzo_eh ZINC95909349 -11.58 540.524 1 -1 in-vitro,biogenic Results
319939 docwho76 ZINC35872580 -11.57 Results
324279 Discordia ZINC53143382 -11.57 Results
330441 docwho76 ZINC105041680 -11.57 Results
320383 gerry_mander ZINC253499445 -11.55 Results
406467 Alcedema ZINC4099009 -11.55 656.662 0 0 fda TENIPOSIDE Results
444192 namesake ZINC257362200 -11.54 697.778 1 0 in-man Results
778649 LELE1964 ZINC217355510 -11.54 Results
341596 jdavid.net ZINC108948490 -11.53 Results
439421 deafterpene ZINC3802222 -11.53 415.533 1 1 in-man ZAMIFENACIN
muscarinic receptor antagonists
Results
481283 SethR@Parallax ZINC142085559 -11.53 510.392 0 0 in-man Results
329887 docwho76 ZINC53356561 -11.52 Results
350243 namesake ZINC72426297 -11.52 Results
447719 ersatzBoffin ZINC100001967 -11.52 609.723 0 1 in-man NIGULDIPINE
phenylpyridine vasodilators (nifedipine type)
Results
793172 Amanda Lou ZINC252463633 -11.52 426.462 0 0 in-vitro,biogenic Results
887772 PDW ZINC257346247 -11.52 Results
320866 docwho76 ZINC35872583 -11.5 Results
327453 docwho76 ZINC253498239 -11.5 Results
450626 ersatzBoffin ZINC1534968 -11.5 455.577 1 1 in-man Results
771991 k0r3 ZINC257261391 -11.5 Results
319685 yomendayo ZINC150343506 -11.49 641.521 1 -1 in-vitro,biogenic Results
467684 ersatzBoffin ZINC30731084 -11.49 618.687 0 0 world Results
848785 DrStrabismus ZINC4897160 -11.49 Results
892286 GreedyBinder ZINC123429294 -11.49 Results
435898 CNDSCN ZINC28115899 -11.48 622.762 1 1 in-man,endogenous PHAEANTHINE Results
470003 CNDSCN ZINC3978083 -11.48 609.743 1 2 biogenic,world TUBOCURARINE Results
931246 DrStrabismus ZINC59227949 -11.48 595.554 0 0 in-vitro,biogenic Results
999019 Voivodul ZINC225437990 -11.48 Results
307949 biocurious ZINC70704470 -11.47 548.643 0 0 biogenic Results
403349 Alcedema ZINC8214619 -11.46 428.657 0 0 fda NANDROLONE DECANOATE
androgens; steroids (not prednisolone derivatives)
Results
793619 Amanda Lou ZINC225453389 -11.46 428.478 0 0 in-vitro,biogenic Results
323019 docwho76 ZINC229984806 -11.45 Results
324882 docwho76 ZINC245329195 -11.45 Results
329671 docwho76 ZINC53356845 -11.45 Results
329960 jdavid.net ZINC33647920 -11.45 Results
913055 Voivodul ZINC77312767 -11.45 592.642 0 -1 in-vitro Results
312362 biocurious ZINC85567073 -11.44 686.934 1 1 in-vitro,biogenic Results
319274 MrBozo ZINC2005305 -11.44 459.463 1 -2 biogenic,fda LEVOMEFOLIC ACID Results
481960 poweredge ZINC4654831 -11.44 535.813 0 0 in-man CHEMBL1084541 Results
494280 tzdian1 ZINC4097468 -11.44 412.614 0 0 world TESTOSTERONE CYPIONATE
steroids (androgens, anabolics)
Results
969827 deafterpene ZINC102207644 -11.44 Results
312826 ersatzBoffin ZINC4024381 -11.43 427.538 0 1 biogenic Results
511647 allgrit ZINC26892598 -11.43 510.392 0 0 in-man Results
849149 cosmosdad ZINC390822396 -11.43 Results
320302 jdavid.net ZINC17064239 -11.42 Results
323214 Cistatech ZINC96113940 -11.42 485.536 0 0 biogenic Results
444209 deafterpene ZINC3916953 -11.42 484.513 3 -1 in-man MAZOKALIM
potassium channel agonists
Results
866922 MorePower ZINC123432137 -11.42 Results
999001 Voivodul ZINC225437538 -11.42 Results
1036395 LELE1964 ZINC3311033 -11.42 Results
327003 docwho76 ZINC3053614 -11.41 Results
407357 sodak2hou ZINC36520252 -11.41 450.915 0 0 fda EMPAGLIFLOZIN
phlorozin derivatives, phenolic glycosides
Results
308366 biocurious ZINC85489230 -11.4 486.696 0 -1 in-vitro,biogenic Results
313818 cosmoPoweredge ZINC252585856 -11.4 Results
431688 revcbh ZINC3881605 -11.39 420.593 0 0 in-man CHEMBL2356993 Results
811733 JNapoli01 ZINC2733009 -11.39 Results
308134 cosmoPoweredge ZINC217338812 -11.38 537.697 0 -1 biogenic Results
309868 bonzo_eh ZINC67897181 -11.38 379.435 1 1 in-vitro,biogenic Results
460862 skoogPC ZINC3881613 -11.38 406.566 0 0 world NANDROLONE PHENPROPIONATE
androgens; steroids (not prednisolone derivatives)
Results
500174 allgrit ZINC252515358 -11.37 480.686 0 0 in-man,endogenous Results
322176 docwho76 ZINC8738084 -11.36 Results
326477 cosmoPoweredge ZINC253501547 -11.36 Results
404847 Discordia ZINC242437513 -11.36 477.603 0 5 fda Results
450893 allgrit ZINC33940853 -11.36 358.398 1 1 in-man Results
891941 JNapoli01 ZINC3977815 -11.36 Results
907830 DrStrabismus ZINC97976526 -11.36 Results
312923 BogdanRoscaneanu ZINC585295292 -11.34 Results
320784 docwho76 ZINC35872632 -11.34 Results
429936 ersatzBoffin ZINC4172334 -11.34 448.603 0 0 in-man ALGESTONE ACETOPHENIDE
progestins
Results
864955 cosmosdad ZINC3448387 -11.34 Results
463967 tzdian1 ZINC3932194 -11.33 574.649 0 -1 world CHEMBL1565 Results
850457 Evi1974 ZINC67885248 -11.33 Results
1036947 LELE1964 ZINC3311032 -11.33 Results
307647 biocurious ZINC252679657 -11.32 Results
491374 allgrit ZINC1529439 -11.32 430.717 0 0 in-man Results
321239 proyas ZINC72357686 -11.31 Results
368612 ersatzBoffin ZINC169621223 -11.31 822.953 0 -1 fda RIFAMPIN
tricyclic compounds; antibiotics (rifamycin derivatives)
Results
369892 ersatzBoffin ZINC3915154 -11.31 540.697 0 0 fda CICLESONIDE
topical steroids (acetal derivatives)
Results
414637 suetonius76 ZINC13207500 -11.31 481.379 0 0 in-man Results
435564 biocurious ZINC253599731 -11.31 578.787 0 0 in-man,endogenous Results
314524 biocurious ZINC4085515 -11.3 426.0 1 1 biogenic Results
320102 docwho76 ZINC35872509 -11.3 Results
323158 cosmoPoweredge ZINC252677994 -11.3 Results
450638 ersatzBoffin ZINC3785445 -11.3 455.577 1 1 in-man Results