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receptors

Sars-cov2 Spike protein

Ideally, if we found small molecules that bind to the contact surface between spike protein and human ACE2, we may block its spread in the body,

Receptor is chain E from 2AJF.pdb

alt text

See this system on Github

Results

Total jobs calculated : 265356
jobID user zinc drawing bestDG weight ph charge subsets chembl results
376890 Alcedema ZINC5844788 -12.22 405.441 0 1 fda Results
402192 Alcedema ZINC607986 -11.7 405.441 0 1 fda Results
412645 sodak2hou ZINC3927822 -11.39 492.689 0 1 fda LURASIDONE
antipsychotic with binding activity on serotonin (5HT2A) and dopamine (D2) receptors
Results
363418 magus ZINC4213946 -11.11 405.441 0 1 fda Results
419568 Discordia ZINC2005305 -10.95 459.463 1 -2 fda LEVOMEFOLIC ACID Results
403352 Discordia ZINC4095858 -10.93 430.717 0 0 fda VITAMIN E Results
404762 Discordia ZINC242437513 -10.51 477.603 0 5 fda Results
370094 PerfumedTree ZINC3833846 -10.41 567.796 1 1 fda NELFINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
369650 namesake ZINC3914596 -10.26 670.855 1 1 fda SAQUINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
361287 poweredge ZINC3925861 -10.23 492.591 0 0 fda VORAPAXAR
PAR1 antagonists
Results
432233 poweredge ZINC8220909 -10.14 665.733 0 0 fda NATAMYCIN
antibiotics (Streptomyces strains)
Results
417535 Discordia ZINC1530579 -10.08 406.482 0 1 fda CHEMBL3799125 Results
369508 cosmoi7 ZINC3931840 -9.96 517.776 0 1 fda Results
369011 magus ZINC1612996 -9.94 586.689 0 1 fda IRINOTECAN
antineoplastics (camptothecine derivatives)
Results
397097 revcbh ZINC3831151 -9.94 586.197 0 -1 fda MONTELUKAST
antiasthmatics/antiallergics: leukotriene receptor antagonists
Results
362404 cosmoi7 ZINC1530886 -9.92 514.629 2 0 fda TELMISARTAN
angiotensin II receptor antagonists
Results
362076 cosmoi7 ZINC1850374 -9.89 391.294 0 0 fda CHEMBL589355 Results
368686 cosmoi7 ZINC14261579 -9.83 540.697 0 0 fda Results
363819 cosmoi7 ZINC8214619 -9.81 428.657 0 0 fda NANDROLONE DECANOATE
androgens; steroids (not prednisolone derivatives)
Results
414405 poweredge ZINC43207238 -9.78 444.524 0 0 fda CANAGLIFLOZIN
phlorozin derivatives, phenolic glycosides
Results
383245 poweredge ZINC1996117 -9.76 426.56 1 1 fda DARIFENACIN
muscarinic receptor antagonists
Results
418442 poweredge ZINC1530580 -9.7 406.482 0 1 fda CHEMBL3798017 Results
369874 ersatzBoffin ZINC3915154 -9.68 540.697 0 0 fda CICLESONIDE
topical steroids (acetal derivatives)
Results
369251 ersatzBoffin ZINC26011099 -9.67 545.629 1 1 fda OMACETAXINE MEPESUCCINATE Results
365366 cosmoi7 ZINC4641374 -9.66 412.658 0 0 fda DOXERCALCIFEROL
vitamin D analogues
Results
375619 cosmoi7 ZINC1850376 -9.64 391.294 0 0 fda CHEMBL589356 Results
366344 cosmoi7 ZINC3784182 -9.63 412.529 0 -1 fda ADAPALENE Results
369554 ersatzBoffin ZINC3986735 -9.62 488.017 0 0 fda DASATINIB
tyrosine kinase inhibitors
Results
380571 cosmoi7 ZINC100013500 -9.61 517.776 0 1 fda RETAPAMULIN
antibacterials, pleuromulin derivatives
Results
364656 namesake ZINC242437511 -9.59 477.603 0 5 fda Results
367690 tangerinedream ZINC4097344 -9.59 705.647 0 0 fda CHEMBL1835950 Results
437553 poweredge ZINC4629876 -9.57 396.659 0 0 fda ERGOCALCIFEROL
vitamin D analogues
Results
379775 cosmoi7 ZINC4099008 -9.54 656.662 0 0 fda Results
369052 ersatzBoffin ZINC3918453 -9.53 475.523 0 -1 fda ERTAPENEM
antibacterial antibiotics, carbapenem derivatives
Results
406453 Alcedema ZINC4099009 -9.51 656.662 0 0 fda TENIPOSIDE Results
366792 ersatzBoffin ZINC3927200 -9.5 366.501 0 0 fda DROSPIRENONE
aldosterone antagonists (spironolactone type)
Results
400718 Discordia ZINC1850 -9.48 337.419 0 0 fda OLOPATADINE
tricyclic histaminic-H1 receptor antagonists, loratadine derivatives
Results
368615 ersatzBoffin ZINC169621223 -9.47 822.953 0 -1 fda RIFAMPIN
tricyclic compounds; antibiotics (rifamycin derivatives)
Results
433867 poweredge ZINC4097343 -9.46 705.647 0 0 fda CHEMBL1835951 Results
362092 cosmoi7 ZINC2032615 -9.45 391.294 0 0 fda CHEMBL600685 Results
382005 RobotSpike ZINC4474460 -9.45 384.648 0 0 fda CHOLECALCIFEROL
vitamin D analogues
Results
397526 revcbh ZINC3920719 -9.45 558.65 0 -1 fda ATORVASTATIN
enzyme inhibitors: antihyperlipidemics (HMG-CoA inhibitors)
Results
373878 Alcedema ZINC4097427 -9.4 610.671 0 0 fda Results
362831 dridabi427 ZINC1850377 -9.36 391.294 0 0 fda CHEMBL601463 Results
382354 RobotSpike ZINC100003902 -9.35 513.677 1 1 fda MARAVIROC
antivirals; CCR5 antagonists
Results
407208 Discordia ZINC3812863 -9.35 405.495 0 0 fda LISINOPRIL
antihypertensives (ACE inhibitors)
Results
370009 cosmoi7 ZINC52955754 -9.33 581.673 0 1 fda ERGOTAMINE Results
369841 cosmoi7 ZINC3861599 -9.26 416.583 0 0 fda SPIRONOLACTONE Results
406671 sodak2hou ZINC3938684 -9.26 588.562 0 0 fda ETOPOSIDE Results
381550 cosmoi7 ZINC19594557 -9.23 390.958 0 1 fda CHEMBL1440522 Results
362517 cosmoi7 ZINC100004345 -9.22 528.951 0 1 fda Results
364700 cosmoi7 ZINC4175630 -9.21 461.556 0 1 fda PIMOZIDE Results
368572 ersatzBoffin ZINC3977777 -9.21 502.579 0 0 fda AMCINONIDE
topical steroids (acetal derivatives)
Results
416077 sodak2hou ZINC1530601 -9.19 405.969 0 1 fda ENCLOMIPHENE Results
432654 poweredge ZINC1481956 -9.12 426.492 0 1 fda CHEMBL2361980 Results
383638 RobotSpike ZINC66166864 -9.11 482.628 1 1 fda ALECTINIB
tyrosine kinase inhibitors
Results
429394 poweredge ZINC3831332 -9.11 450.707 0 0 fda PHYTONADIONE Results
368171 cosmoi7 ZINC164760756 -9.07 749.956 0 -1 fda Results
369877 skoogPC ZINC60325170 -9.06 531.316 0 1 fda COBIMETINIB
tyrosine kinase inhibitors: mitogen-activated protein (MAP) kinase inhibitors
Results
439723 poweredge ZINC608382 -9.06 391.467 0 0 fda FLAVOXATE Results
359502 cosmoi7 ZINC3932831 -9.03 528.537 0 0 fda DUTASTERIDE
steroids (androgens, anabolics); testosterone reductase inhibitors
Results
368715 skoogPC ZINC3992105 -9.03 538.584 0 0 fda FLUTICASONE FUROATE Results
375828 Alcedema ZINC11615927 -9.03 558.65 0 -1 fda Results
431269 poweredge ZINC14879992 -9.03 457.483 0 -1 fda MINOCYCLINE
antibiotics (tetracycline derivatives)
Results
403379 sodak2hou ZINC2016037 -9.02 437.779 0 0 fda ARASERTACONAZOLE
systemic antifungals (miconazole type)
Results
365053 namesake ZINC22448696 -8.97 613.803 0 0 fda INDINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
383459 RobotSpike ZINC1530975 -8.97 317.476 1 1 fda BUTENAFINE Results
404251 Alcedema ZINC3813083 -8.97 340.443 0 1 fda CHEMBL1437876 Results
369171 tangerinedream ZINC3938704 -8.96 543.525 0 1 fda EPIRUBICIN
antineoplastic antibiotics (daunorubicin type)
Results
370122 cosmoi7 ZINC1542930 -8.95 372.549 0 0 fda CESAMET Results
368051 ersatzBoffin ZINC601316 -8.93 352.454 0 1 fda Results
373827 Alcedema ZINC4074875 -8.93 610.671 0 0 fda Results
411932 poweredge ZINC3951740 -8.93 628.814 0 0 fda LOPINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
367983 ersatzBoffin ZINC28957444 -8.92 522.578 0 0 fda TICAGRELOR
platelet aggregation inhibitors
Results
369915 cosmoi7 ZINC3990451 -8.91 496.633 0 -1 fda SELEXIPAG Results
380885 cosmoi7 ZINC84758479 -8.91 433.577 0 1 fda BREXPIPRAZOLE
antiulcer agents (benzimidazole derivatives)
Results
367678 ersatzBoffin ZINC1853205 -8.9 430.545 0 -1 fda TRANDOLAPRIL
antihypertensives (ACE inhibitors)
Results
377796 poweredge ZINC1530759 -8.9 341.451 0 1 fda CHEMBL1322675 Results
366676 cosmoi7 ZINC53683151 -8.89 654.606 0 0 fda BROMOCRIPTINE Results
431059 poweredge ZINC100036924 -8.89 464.858 0 -1 fda DEMECLOCYCLINE
antibiotics (tetracycline derivatives)
Results
362674 cosmoi7 ZINC3830212 -8.87 645.319 0 1 fda AMIODARONE
antirrhythmics: indicates high iodine content
Results
383132 RobotSpike ZINC4083606 -8.87 428.613 0 0 fda HYDROXYPROGESTERONE CAPROATE
progestins; steroids (androgens, anabolics)
Results
407320 sodak2hou ZINC36520252 -8.87 450.915 0 0 fda EMPAGLIFLOZIN
phlorozin derivatives, phenolic glycosides
Results
425962 poweredge ZINC3830716 -8.87 452.598 0 1 fda DIPHENOXYLATE Results
369242 cosmoi7 ZINC64033452 -8.86 452.413 0 -1 fda LUMACAFTOR
cystic fibrosis transmembrane regulator (CFTR) protein modulators
Results
437055 poweredge ZINC49637509 -8.85 717.779 0 1 fda Results
368432 cosmoi7 ZINC538550 -8.82 412.946 0 0 fda ZIPRASIDONE
antipsychotic with binding activity on serotonin (5HT2A) and dopamine (D2) receptors
Results
382149 RobotSpike ZINC4428529 -8.82 314.469 0 0 fda PROGESTERONE
progestins; steroids (androgens, anabolics)
Results
370024 cosmoi7 ZINC116473771 -8.81 366.844 0 -1 fda ATOVAQUONE Results
378205 Alcedema ZINC449 -8.8 340.443 0 1 fda CHEMBL3306998 Results
364237 cosmoi7 ZINC1552174 -8.79 369.469 0 0 fda CILOSTAZOL Results
369577 poweredge ZINC11679756 -8.79 442.475 0 -2 fda ELTROMBOPAG
thrombopoetin agonists
Results
417196 sodak2hou ZINC538312 -8.79 410.493 0 1 fda RISPERIDONE
antipsychotics (risperidone type)
Results
362614 cosmoi7 ZINC3817234 -8.78 513.677 1 1 fda CHEMBL584744 Results
377546 Alcedema ZINC538658 -8.78 448.95 0 0 fda Results
377425 cosmoi7 ZINC606383 -8.77 437.779 0 0 fda Results
409477 Discordia ZINC1548097 -8.77 426.488 0 1 fda ILOPERIDONE
antipsychotics (risperidone type)
Results
383121 RobotSpike ZINC3977978 -8.76 494.531 0 0 fda FLUOCINONIDE
topical steroids (acetal derivatives)
Results
432852 poweredge ZINC4214700 -8.73 426.492 0 1 fda Results
380332 cosmoi7 ZINC4474414 -8.72 400.647 0 0 fda CALCIFEDIOL
vitamin D analogues
Results
409177 sodak2hou ZINC8214418 -8.72 791.115 0 0 fda Results
365214 poweredge ZINC4097286 -8.71 430.541 0 0 fda Results
398744 Discordia ZINC100004343 -8.71 528.951 0 1 fda Results
427758 poweredge ZINC3872931 -8.71 428.54 0 0 fda IRBESARTAN
angiotensin II receptor antagonists
Results
383629 RobotSpike ZINC3873936 -8.7 532.472 0 1 fda TERCONAZOLE
systemic antifungals (miconazole type)
Results
362637 cosmoi7 ZINC3816514 -8.68 500.483 0 1 fda ROLAPITANT
tachykinin (neurokinin) receptor antagonists: NK1 receptor antagonists
Results
370227 ersatzBoffin ZINC57522 -8.68 307.418 0 0 fda TOLNAFTATE Results
382257 RobotSpike ZINC253632968 -8.68 749.956 0 -1 fda Results
383471 cosmoi7 ZINC30691727 -8.68 484.663 0 1 fda ACLIDINIUM
quaternary ammonium derivatives: muscarinic receptor antagonists
Results
383621 RobotSpike ZINC34608502 -8.67 428.596 0 1 fda UMECLIDINIUM
quaternary ammonium derivatives: muscarinic receptor antagonists
Results
374021 Alcedema ZINC68204830 -8.65 738.89 0 0 fda DACLATASVIR
antivirals: NS5A inhibitors
Results
429029 poweredge ZINC84441937 -8.65 444.44 0 -1 fda TETRACYCLINE
antibiotics (tetracycline derivatives)
Results
366172 cosmoi7 ZINC3976838 -8.64 485.947 0 1 fda AFATINIB
tyrosine kinase inhibitors
Results
376423 cosmoi7 ZINC897251 -8.64 379.5 0 1 fda CHEMBL107316 Results
379504 cosmoi7 ZINC537928 -8.64 477.048 0 1 fda LOPERAMIDE Results
404761 Alcedema ZINC242437512 -8.64 477.603 0 5 fda Results
369149 ersatzBoffin ZINC601317 -8.63 424.544 0 0 fda DIFENOXIN
fluoroquinolone derivatives, nonantibacterial indications (e.g., antineoplastic antibiotics)
Results
381411 RobotSpike ZINC19361042 -8.63 390.958 0 1 fda Results
382590 RobotSpike ZINC4097383 -8.63 572.875 0 2 fda PANCURONIUM
quaternary ammonium derivatives: neuromuscular blocking agents
Results
401354 i7 ZINC601229 -8.63 381.907 1 1 fda Results
408952 sodak2hou ZINC85540223 -8.63 791.115 0 0 fda Results
42908 biocurious ZINC2036848 -8.62 376.369 2 0 fda RIBOFLAVIN Results
368943 HappyDude37 ZINC3977981 -8.62 452.494 0 0 fda FLUOCINOLONE ACETONIDE
steroids (not prednisolone derivatives); topical steroids (acetal derivatives)
Results
399801 poweredge ZINC4655029 -8.62 555.516 0 1 fda BEDAQUILINE
antibiotics, diarylquinoline structure
Results
369645 poweredge ZINC3875334 -8.61 402.487 0 0 fda CORTISONE ACETATE Results
373651 poweredge ZINC3872566 -8.61 501.667 0 0 fda CHEMBL73285 Results
383356 RobotSpike ZINC19632618 -8.6 493.615 1 1 fda IMATINIB
tyrosine kinase inhibitors
Results
406026 poweredge ZINC538275 -8.6 473.594 0 1 fda RALOXIFENE
antiestrogens of the clomifene and tamoxifen groups
Results
406525 sodak2hou ZINC3938751 -8.6 430.541 0 0 fda DEXBUDESONIDE
topical steroids (acetal derivatives)
Results
427896 poweredge ZINC96903163 -8.6 522.638 0 0 fda CHEMBL552128 Results
383408 RobotSpike ZINC3978005 -8.59 583.689 1 1 fda DIHYDROERGOTAMINE
ergot alkaloid derivatives
Results
401507 i7 ZINC897240 -8.59 381.907 1 1 fda Results
426865 poweredge ZINC3810860 -8.59 409.432 0 0 fda EZETIMIBE
antihyperlipidaemics, acyl CoA: cholesterol acyltransferase (ACAT)inhibitors
Results
369568 cosmoi7 ZINC3873295 -8.58 429.134 2 1 fda OXICONAZOLE
systemic antifungals (miconazole type)
Results
376115 cosmoi7 ZINC27990463 -8.58 693.732 0 1 fda LOMITAPIDE
microsomal triglyceride transfer protein (MTP) inhibitors
Results
413184 sodak2hou ZINC3875560 -8.58 374.477 0 0 fda METHYLPREDNISOLONE
prednisone and prednisolone derivatives
Results
369995 magus ZINC3985982 -8.57 414.498 0 0 fda EPLERENONE
aldosterone antagonists (spironolactone type)
Results
413451 sodak2hou ZINC3875357 -8.57 358.434 0 0 fda PREDNISONE
prednisone and prednisolone derivatives
Results
376274 poweredge ZINC49036447 -8.56 450.93 0 0 fda SUVOREXANT Results
418884 sodak2hou ZINC1534965 -8.56 421.468 0 -1 fda PITAVASTATIN
enzyme inhibitors: antihyperlipidemics (HMG-CoA inhibitors)
Results
369325 PerfumedTree ZINC3938652 -8.55 488.577 0 0 fda PREDNICARBATE
prednisone and prednisolone derivatives
Results
380961 RobotSpike ZINC100014909 -8.55 539.636 0 0 fda NINTEDANIB
angiogenesis inhibitors
Results
387613 poweredge ZINC12503187 -8.55 498.586 0 0 fda CONIVAPTAN
vasopressin receptor antagonists
Results
380598 cosmoi7 ZINC3916214 -8.54 557.054 0 1 fda NERATINIB
tyrosine kinase inhibitors
Results
369003 ersatzBoffin ZINC28639340 -8.53 700.791 0 0 fda Results
433050 poweredge ZINC3978006 -8.53 470.334 0 -1 fda DICLOXACILLIN
penicillins
Results
365926 cosmoi7 ZINC3874715 -8.52 414.41 0 0 fda Results
370126 poweredge ZINC14879972 -8.52 585.658 0 0 fda TIGECYCLINE
antibiotics (tetracycline derivatives)
Results
369781 tangerinedream ZINC402830 -8.51 343.898 1 1 fda CLEMASTINE
antihistaminics (histamine-H1 receptor antagonists)
Results
381570 RobotSpike ZINC3814422 -8.51 302.458 0 0 fda METHYLTESTOSTERONE
steroids (androgens, anabolics)
Results
414660 Discordia ZINC1539579 -8.5 348.486 0 -1 fda BEXAROTENE
arotinoid derivatives
Results
405751 Discordia ZINC35902489 -8.49 450.345 0 1 fda CRIZOTINIB
tyrosine kinase inhibitors
Results
362628 poweredge ZINC11615926 -8.48 558.65 0 -1 fda CHEMBL3392029 Results
365383 cosmoi7 ZINC3921872 -8.48 412.614 0 0 fda CALCIPOTRIENE
vitamin D analogues
Results
363531 magus ZINC1530613 -8.47 309.494 0 1 fda DICYCLOMINE Results
364980 poweredge ZINC1895505 -8.47 470.613 0 1 fda BAZEDOXIFENE
antiestrogens of the clomifene and tamoxifen groups
Results
366193 cosmoi7 ZINC53683345 -8.47 475.362 0 1 fda VANDETANIB
angiogenesis inhibitors
Results
367817 cosmoi7 ZINC1530625 -8.47 314.469 0 0 fda DRONABINOL
cannabinol derivatives
Results
375995 cosmoi7 ZINC11681563 -8.47 578.601 0 1 fda NETUPITANT
tachykinin (neurokinin) receptor antagonists: NK1 receptor antagonists
Results
368804 ersatzBoffin ZINC36701290 -8.46 532.57 1 0 fda PONATINIB
tyrosine kinase inhibitors
Results
370322 Cistatech ZINC3830947 -8.46 777.088 0 0 fda IOPAMIDOL
iodine-containing contrast media
Results
377566 poweredge ZINC3831128 -8.46 429.604 0 0 fda MIFEPRISTONE
progesterone receptor antagonists
Results
jobID user zinc drawing bestDG weight ph charge subsets chembl results
313807 bonzo_eh ZINC97971919 -14.8 578.617 1 -1 biogenic Results
259153 revcbh ZINC408824779 -13.21 Results
260433 revcbh ZINC408825027 -12.75 Results
11168 biocurious ZINC261493244 -12.56 Results
11088 biocurious ZINC261493245 -12.5 Results
24976 biocurious ZINC6148190 -12.39 Results
7044 biocurious ZINC49601634 -12.36 362.375 0 -1 in-vitro,biogenic Results
376890 Alcedema ZINC5844788 -12.22 405.441 0 1 fda Results
10949 biocurious ZINC261493247 -12.01 Results
43262 biocurious ZINC217392841 -11.96 Results
301540 BogdanRoscaneanu ZINC822580935 -11.96 Results
469637 SethR@Parallax ZINC100306588 -11.9 612.804 0 0 in-man NEMADECTIN
antiparasitics (ivermectin type)
Results
301451 BogdanRoscaneanu ZINC822580938 -11.88 Results
292043 ersatzBoffin ZINC85531172 -11.85 782.974 0 0 in-vitro,biogenic Results
250302 CNDSCN ZINC12599902 -11.82 Results
123761 MJ ZINC253591439 -11.8 Results
57948 biocurious ZINC253617567 -11.78 Results
424849 CNDSCN ZINC256418832 -11.78 604.916 0 0 in-man,endogenous Results
51671 biocurious ZINC79204411 -11.76 Results
284791 Gatguy ZINC28615111 -11.73 Results
402192 Alcedema ZINC607986 -11.7 405.441 0 1 fda Results
50286 biocurious ZINC217424866 -11.65 Results
293070 ersatzBoffin ZINC150360665 -11.64 726.998 0 -1 in-vitro,biogenic Results
307119 bonzo_eh ZINC85531853 -11.63 468.543 0 0 in-vitro,biogenic Results
6630 anonymous ZINC19893933 -11.58
313645 biocurious ZINC217456879 -11.55 561.694 0 1 biogenic Results
441877 namesake ZINC118917052 -11.53 550.645 0 0 in-man Results
10867 biocurious ZINC261493246 -11.5 Results
39117 biocurious ZINC4769192 -11.49 Results
123317 MJ ZINC253530689 -11.47 Results
260765 revcbh ZINC408825001 -11.43 Results
250783 CNDSCN ZINC12599904 -11.4 Results
412645 sodak2hou ZINC3927822 -11.39 492.689 0 1 fda LURASIDONE
antipsychotic with binding activity on serotonin (5HT2A) and dopamine (D2) receptors
Results
312821 ersatzBoffin ZINC4024381 -11.36 427.538 0 1 biogenic Results
480972 allgrit ZINC299817032 -11.35 639.83 0 0 in-man Results
124226 MJ ZINC253591435 -11.34 Results
293262 ersatzBoffin ZINC85532205 -11.33 631.81 0 1 in-vitro,biogenic Results
250389 CNDSCN ZINC12599899 -11.31 Results
302903 BogdanRoscaneanu ZINC253488066 -11.27 Results
250629 CNDSCN ZINC12599900 -11.26 Results
260861 namesake ZINC3954314 -11.25 473.488 0 -1 in-vitro CHEMBL471225 Results
261151 revcbh ZINC408825055 -11.23 Results
224458 pavgup ZINC16913993 -11.22 Results
302376 BogdanRoscaneanu ZINC252694724 -11.22 Results
122226 MJ ZINC253530687 -11.2 Results
263265 revcbh ZINC408825146 -11.16 Results
367794 gerry_mander ZINC33958462 -11.16 Results
303401 BogdanRoscaneanu ZINC105371987 -11.15 591.591 1 -1 biogenic Results
7872 biocurious ZINC49601641 -11.14 362.375 0 -1 in-vitro,biogenic Results
250916 docwho76 ZINC12874550 -11.14 463.446 0 0 biogenic Results
2791 biocurious ZINC35465314 -11.13 344.36 0 0 in-man,biogenic
440756 Cistatech ZINC4098424 -11.12 602.812 1 0 in-man,endogenous GARCINOL Results
512313 allgrit ZINC70455322 -11.12 610.751 1 1 in-man,endogenous Results
3860 biocurious ZINC217392932 -11.11
363418 magus ZINC4213946 -11.11 405.441 0 1 fda Results
506677 allgrit ZINC169649308 -11.1 639.83 0 0 in-man MOXIDECTIN
antiparasitics (ivermectin type)
Results
251632 docwho76 ZINC12883426 -11.08 497.891 0 0 biogenic Results
262055 CNDSCN3 ZINC102781210 -11.08 Results
67692 bonzo_eh ZINC49601640 -11.06 362.375 0 -1 in-vitro,biogenic Results
280477 muaddib ZINC79193971 -11.06 487.505 0 1 biogenic Results
448502 ersatzBoffin ZINC85432018 -11.06 687.868 0 0 in-man,biogenic OLEANDOMYCIN
antibiotics (Streptomyces strains)
Results
1071 biocurious ZINC4544766 -11.04 370.31 0 0 in-vitro,biogenic
123527 MJ ZINC253591436 -11.04 Results
303165 BogdanRoscaneanu ZINC104014741 -11.03 Results
41627 biocurious ZINC4353343 -11.02 Results
261629 CNDSCN3 ZINC102780383 -11.01 Results
435333 revcbh ZINC253599728 -10.99 578.787 0 0 in-man,endogenous Results
446217 skoogPC ZINC247853265 -10.97 664.833 0 -1 in-man,endogenous Results
429953 ersatzBoffin ZINC4759030 -10.96 448.603 0 0 in-man Results
449295 ersatzBoffin ZINC206658454 -10.96 610.751 1 2 in-man,endogenous Results
419568 Discordia ZINC2005305 -10.95 459.463 1 -2 biogenic,fda LEVOMEFOLIC ACID Results
433856 anonymous ZINC257411595 -10.94 516.675 0 -1 in-man,endogenous Results
130492 deafterpene ZINC252593504 -10.93 Results
316345 gerry_mander ZINC820386030 -10.93 Results
403352 Discordia ZINC4095858 -10.93 430.717 0 0 endogenous,fda VITAMIN E Results
280216 muaddib ZINC79193975 -10.92 487.505 0 1 biogenic Results
61676 biocurious ZINC4769193 -10.91 Results
261017 revcbh ZINC408825003 -10.9 Results
305987 tsparkle ZINC5032481 -10.9 Results
512189 allgrit ZINC100822590 -10.9 610.751 1 1 in-man,endogenous Results
2758 biocurious ZINC5227304 -10.89 301.251 0 0 biogenic
449314 ersatzBoffin ZINC42806008 -10.89 610.751 1 1 in-man,endogenous ISOLIENSININE Results
81694 namesake ZINC4279275 -10.88 Results
303822 skoog ZINC106022384 -10.88 Results
429935 ersatzBoffin ZINC4172334 -10.87 448.603 0 0 in-man ALGESTONE ACETOPHENIDE
progestins
Results
424909 anonymous ZINC49888788 -10.86 576.859 0 0 in-man,biogenic SITOGLUSIDE Results
491992 SethR@Parallax ZINC4097812 -10.84 412.702 0 0 in-man,endogenous ISOFUCOSTEROL Results
9041 biocurious ZINC247923470 -10.83 Results
449368 ersatzBoffin ZINC410428659 -10.82 610.751 1 2 in-man,endogenous Results
3589 biocurious ZINC5354706 -10.81
11063 biocurious ZINC4707854 -10.81
269197 deafterpene ZINC239121107 -10.81 Results
11013 biocurious ZINC261493227 -10.8 Results
60916 1 ZINC4544767 -10.8 370.31 0 0 in-vitro,biogenic Results
310980 biocurious ZINC79189935 -10.8 558.719 1 1 biogenic Results
58084 biocurious ZINC253617566 -10.79 Results
451006 allgrit ZINC3954654 -10.79 499.459 0 -1 in-man CHEMBL1623747 Results
44726 biocurious ZINC242701680 -10.77 Results
251678 docwho76 ZINC12883799 -10.76 491.5 0 0 biogenic Results
259825 revcbh ZINC408824543 -10.75 Results
304972 deafterpene ZINC102667887 -10.74 Results
34678 biocurious ZINC247905938 -10.73 Results
282952 cosmosdad ZINC72194423 -10.73 324.467 0 0 in-vitro Results
117349 MJ ZINC521396594 -10.72 Results
263542 docwho76 ZINC4004093 -10.72 Results
506607 allgrit ZINC25782832 -10.72 510.392 0 0 in-man Results
213544 pavgup ZINC9406204 -10.71 Results
444654 gerry_mander ZINC8214547 -10.71 576.771 0 0 in-man,biogenic DISOGLUSIDE Results
67712 bonzo_eh ZINC49601637 -10.7 362.375 0 -1 in-vitro,biogenic Results
467679 ersatzBoffin ZINC30731084 -10.7 618.687 0 0 world Results
293144 ersatzBoffin ZINC70450901 -10.68 518.562 0 0 in-vitro,biogenic Results
308573 biocurious ZINC150368142 -10.68 Results
2882 biocurious ZINC240662398 -10.67 300.267 0 0 biogenic
13370 biocurious ZINC3894276 -10.67 340.284 0 0 in-man,biogenic Results
132303 deafterpene ZINC58444968 -10.67 Results
305146 Discordia ZINC104984811 -10.67 Results
435967 namesake ZINC26892592 -10.67 510.392 0 0 in-man Results
65762 1 ZINC35465319 -10.66 344.36 0 0 in-man,biogenic Results
61768 biocurious ZINC4769191 -10.65 Results
251345 docwho76 ZINC12883026 -10.65 491.5 0 0 biogenic Results
260129 pavgup ZINC95439057 -10.65 Results
65637 1 ZINC35465316 -10.64 344.36 0 0 in-man,biogenic Results
251406 docwho76 ZINC12883017 -10.64 491.5 0 0 biogenic Results
132980 BogdanRoscaneanu ZINC408847508 -10.63 Results
281813 BogdanRoscaneanu ZINC5393058 -10.63 400.431 1 0 in-vivo CHEMBL608554 Results
314103 biocurious ZINC70673140 -10.63 500.683 0 1 biogenic Results
467411 ersatzBoffin ZINC2015559 -10.63 466.456 0 -2 world Results
469716 SethR@Parallax ZINC253609313 -10.62 576.859 0 0 in-man,endogenous Results
124004 MJ ZINC253591440 -10.61 Results
131476 deafterpene ZINC5485085 -10.61 Results
294256 skoog ZINC34829720 -10.61 Results
2506 biocurious ZINC35465311 -10.6 344.36 0 0 in-man,biogenic
122936 MJ ZINC253530685 -10.6 Results
282263 muaddib ZINC223880321 -10.6 Results
282774 muaddib ZINC223880380 -10.6 Results
56625 biocurious ZINC245240807 -10.59 Results
251320 CNDSCN ZINC78970054 -10.59 Results
263450 docwho76 ZINC4004094 -10.58 Results
299945 tsparkle ZINC64066869 -10.58 Results
52180 biocurious ZINC79209987 -10.57 Results
129891 tsparkle ZINC330033048 -10.57 Results
294939 skoog ZINC34829802 -10.57 Results
10786 biocurious ZINC261493226 -10.56 Results
30541 biocurious ZINC10001626 -10.56 Results
117407 bckr ZINC257358766 -10.56 Results
41846 biocurious ZINC5354844 -10.55 Results
249686 CNDSCN ZINC239539258 -10.55 Results
453513 ersatzBoffin ZINC3913909 -10.55 627.643 0 1 in-man PIRARUBICIN Results
43708 biocurious ZINC217393014 -10.54 Results
269536 deafterpene ZINC244690932 -10.52 Results
281658 muaddib ZINC170622022 -10.52 Results
294252 proyas ZINC70665256 -10.52 531.47 1 -1 biogenic Results
299093 jdavid.net ZINC409228708 -10.52 Results
261946 CNDSCN3 ZINC102781214 -10.51 Results
404762 Discordia ZINC242437513 -10.51 477.603 0 5 fda Results
511612 allgrit ZINC26892598 -10.51 510.392 0 0 in-man Results
54706 biocurious ZINC4776109 -10.5 Results
303628 deafterpene ZINC8399724 -10.5 Results
97736 Seppi333 ZINC14684183 -10.49 Results
82694 bonzo_eh ZINC247747041 -10.48 Results
3066 biocurious ZINC19893935 -10.47
284589 Gatguy ZINC28615110 -10.47 Results
301634 BogdanRoscaneanu ZINC822580936 -10.47 Results
469661 allgrit ZINC253609315 -10.46 576.859 0 0 in-man,endogenous Results
761 pavgup ZINC601032770 -10.45 342.264 0 0 in-vitro
1802 pavgup ZINC71789694 -10.45 346.248 0 0 in-vitro
193199 namesake ZINC96268988 -10.45 465.594 3 0 in-vitro,biogenic Results
263732 revcbh ZINC408825082 -10.44 Results
307948 biocurious ZINC70704470 -10.44 548.643 0 0 biogenic Results
55828 biocurious ZINC105413288 -10.43 512.464 3 -1 in-vitro,biogenic Results
59841 1 ZINC4348410 -10.42 370.31 0 0 in-vitro,biogenic Results
448354 ersatzBoffin ZINC100822831 -10.42 624.778 0 2 in-man,endogenous Results
449338 ersatzBoffin ZINC100822678 -10.42 610.751 1 2 in-man,endogenous Results
487498 tzdian1 ZINC3881613 -10.42 406.566 0 0 world NANDROLONE PHENPROPIONATE
androgens; steroids (not prednisolone derivatives)
Results
475 pavgup ZINC4557172 -10.41
25103 biocurious ZINC245241684 -10.41
132459 bonzo_eh ZINC16607673 -10.41 Results
249573 CNDSCN ZINC24661010 -10.41 Results
262430 CNDSCN3 ZINC102782392 -10.41 Results
370094 PerfumedTree ZINC3833846 -10.41 567.796 1 1 fda NELFINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
440582 namesake ZINC44181684 -10.41 461.64 0 1 in-man,endogenous Results
263362 docwho76 ZINC4001743 -10.4 Results
292447 MrBozo ZINC104156715 -10.4 Results
303320 BogdanRoscaneanu ZINC105371982 -10.4 Results
450625 ersatzBoffin ZINC1534968 -10.4 455.577 1 1 in-man Results
269311 deafterpene ZINC239235416 -10.37 Results
41833 biocurious ZINC4430764 -10.36 Results
177648 pavgup ZINC9406136 -10.36 Results
83831 bonzo_eh ZINC253504646 -10.35 Results
433727 ersatzBoffin ZINC3978827 -10.35 456.711 0 -1 in-man,endogenous URSOLIC ACID Results
30607 biocurious ZINC10001627 -10.34 Results
435819 revcbh ZINC25782826 -10.34 510.392 0 0 in-man Results
444697 Cistatech ZINC100648389 -10.34 292.42 1 1 in-man Results
56826 biocurious ZINC253390442 -10.33 533.511 3 -2 in-vitro,biogenic Results
12491 biocurious ZINC13526502 -10.31 467.427 0 -1 in-vivo CHEMBL1234524 Results
262341 CNDSCN3 ZINC102782395 -10.31 Results
304629 BogdanRoscaneanu ZINC70691836 -10.31 559.524 1 -1 biogenic Results
308032 biocurious ZINC85876227 -10.31 501.59 0 0 biogenic Results
504089 allgrit ZINC14089743 -10.31 456.711 0 -1 in-man,endogenous BOSWELLIC ACID Results
25906 biocurious ZINC38143708 -10.3 480.466 0 0 in-vitro,biogenic
23255 biocurious ZINC5618494 -10.29 Results
56546 biocurious ZINC245240808 -10.29 Results
182970 proyas ZINC4823340 -10.29 Results
293915 skoog ZINC34829721 -10.29 Results
310723 biocurious ZINC8868674 -10.29 466.585 1 1 in-vitro,biogenic Results
251290 docwho76 ZINC12882622 -10.28 497.891 0 0 biogenic Results
293673 proyas ZINC105364382 -10.28 531.47 1 -1 biogenic Results
312335 ersatzBoffin ZINC12296493 -10.28 459.454 2 -1 biogenic Results
438454 ersatzBoffin ZINC43061727 -10.28 542.553 0 -1 in-man Results
481235 SethR@Parallax ZINC142085559 -10.28 510.392 0 0 in-man Results
6339 anonymous ZINC5113219 -10.27 Results
9336 MJ ZINC4536609 -10.27 Results
301723 BogdanRoscaneanu ZINC822580937 -10.27 Results
442351 docwho76 ZINC1851142 -10.27 475.633 0 1 in-man Results
41938 biocurious ZINC83260882 -10.26 Results
77364 MJ ZINC4878477 -10.26 Results
88622 bonzo_eh ZINC6148187 -10.26 Results
295480 namesake ZINC102886556 -10.26 Results
369650 namesake ZINC3914596 -10.26 670.855 1 1 fda SAQUINAVIR
antivirals: HIV protease inhibitors (saquinavir type)
Results
481132 allgrit ZINC256418849 -10.26 604.916 0 0 in-man,endogenous Results
2113 biocurious ZINC257250990 -10.25
136092 pavgup ZINC252679929 -10.25 Results
266432 namesake ZINC8299184 -10.25 501.631 3 0 in-vitro,biogenic Results
307810 bonzo_eh ZINC253499163 -10.25 Results
433754 ersatzBoffin ZINC100783640 -10.25 470.694 0 -1 in-man,endogenous Results
62268 biocurious ZINC5685451 -10.24 Results
126596 daaxst ZINC409126035 -10.24 Results
250762 anonymous ZINC217417938 -10.24 Results
260090 revcbh ZINC409219052 -10.24 Results
261311 CNDSCN3 ZINC102778982 -10.24 Results
283681 jdavid.net ZINC408963978 -10.24 Results
302842 cosmoPoweredge ZINC22078456 -10.24 Results
441645 docwho76 ZINC118918283 -10.24 550.645 0 0 in-man,endogenous Results
256430 HappyDude37 ZINC1761342 -10.23 Results
292591 MrBozo ZINC104156708 -10.23 Results
361287 poweredge ZINC3925861 -10.23 492.591 0 0 fda VORAPAXAR
PAR1 antagonists
Results
66534 MJ ZINC95921616 -10.22 Results
258728 pavgup ZINC8452919 -10.22 Results
270644 deafterpene ZINC6589740 -10.22 Results
299911 deafterpene ZINC19808182 -10.22 Results
444537 deafterpene ZINC5221288 -10.22 484.721 0 0 in-man Results
12846 biocurious ZINC101202779 -10.21 Results
187679 pavgup ZINC9406135 -10.21 Results
256952 pavgup ZINC33031575 -10.21 Results
291005 skoog ZINC34829718 -10.21 Results
292136 ersatzBoffin ZINC59721088 -10.21 568.718 1 1 in-man,endogenous Results
308316 biocurious ZINC263586457 -10.21 Results
263264 docwho76 ZINC4001744 -10.2 Results
277424 namesake ZINC100166593 -10.2 Results
279173 tsparkle ZINC14138660 -10.2 Results
313067 bonzo_eh ZINC85532503 -10.2 494.452 1 -1 in-vitro,biogenic Results
11990 biocurious ZINC1634742 -10.19 Results
83608 bonzo_eh ZINC253504166 -10.19 Results