List of Ligand

No Ligand ID Drug Group Generic Name MW Edit Smile
7701 DB11262 approved Bisoctrizole 658.89 CC(C)(C)CC(C)(C)C1=CC(CC2=C(O)C(=CC(=C2)C(C)(C)CC(C)(C)C)N2N=C3C=CC=CC3=N2)=C(O)C(=C1)N1N=C2C=CC=CC2=N1
7702 DB11263 approved Polydatin 390.39 OC[C@H]1O[C@@H](OC2=CC(O)=CC(\C=C\C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O
7703 DB11264 approved Calcium glycerophosphate 210.14 [Ca++].OCC(CO)OP([O-])([O-])=O
7704 DB11267 experimental Triethoxycaprylylsilane 276.49 CCCCCCCC[Si](OCC)(OCC)OCC
7705 DB11268 approved Protocatechualdehyde 138.12 OC1=CC=C(C=O)C=C1O
7706 DB11269 approved Diethylamino hydroxybenzoyl hexyl benzoate 397.52 CCCCCCOC(=O)C1=CC=CC=C1C(=O)C1=CC=C(C=C1O)N(CC)CC
7707 DB11272 approved Methyl undecenoyl leucinate 311.47 COC(=O)[C@H](CC(C)C)NC(=O)CCCCCCCCC=C
7708 DB11273 approved Dihydroergocornine 563.70 [H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C
7709 DB11274 approved Dihydro-alpha-ergocryptine 577.73 [H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C
7710 DB11275 approved Epicriptine 577.73 [H][C@@]12CCCN1C(=O)[C@]([H])([C@H](C)CC)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C
7711 DB11278 approved DL-Methylephedrine 179.26 C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C
7712 DB11279 approved; vet_approved Brilliant green cation 385.57 CCN(CC)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](CC)CC
7713 DB11281 experimental; vet_approved Bismuth subcarbonate 509.97 [O--].[O--].[Bi+3].[Bi+3].[O-]C([O-])=O
7714 DB11282 approved Diethyltoluamide 191.27 CCN(CC)C(=O)C1=CC(C)=CC=C1
7715 DB11283 approved DL-dimyristoylphosphatidylcholine 677.95 CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
7716 DB11284 approved DL-dimyristoylphosphatidylglycerol 666.87 CCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCCCCCCCC
7717 DB11285 approved; experimental Ethyl ferulate 222.24 [H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)OCC
7718 DB11288 experimental Borneol 154.25 CC1(C)C2CCC1(C)C(O)C2
7719 DB11290 experimental; vet_approved Aluminium tristearate 877.39 [Al+3].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
7720 DB11291 experimental 2-ethylhexyl benzoate 234.34 CCCCC(CC)COC(=O)C1=CC=CC=C1
7721 DB11296 experimental Prezatide 340.38 NCCCC[C@H](NC(=O)[C@H](CC1=CNC=N1)NC(=O)CN)C(O)=O
7722 DB11297 experimental Palmitoyl oligopeptide 578.80 CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCCCN)C(O)=O
7723 DB11299 approved Vanillyl butyl ether 210.27 CCCCOCC1=CC(OC)=C(O)C=C1
7724 DB11304 approved Phenoxyethanol 138.17 OCCOC1=CC=CC=C1
7725 DB11309 experimental Sulfuric acid 98.08 OS(O)(=O)=O
7726 DB11315 approved Methscopolamine 318.39 C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
7727 DB11318 experimental 1,2-Docosahexanoyl-sn-glycero-3-phosphoserine 880.10 [H]C(CC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)OC[C@]([H])(COP(O)(=O)OC[C@]([H])(N)C(O)=O)OC(=O)CC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC
7728 DB11323 approved Glycol salicylate 182.18 OCCOC(=O)C1=CC=CC=C1O
7729 DB11324 investigational Nonivamide 293.40 CCCCCCCCC(=O)NCC1=CC(OC)=C(O)C=C1
7730 DB11326 approved Boric acid 61.83 OB(O)O
7731 DB11327 approved Dipyrithione 252.31 [O-][N+]1=CC=CC=C1SSC1=CC=CC=[N+]1[O-]
7732 DB11328 approved Tetradecyl hydrogen sulfate (ester) 294.45 CCCCC(CC)CCC(CC(C)C)OS(O)(=O)=O
7733 DB11331 approved; experimental 1-Palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol)) 749.02 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC
7734 DB11332 approved Sinapultide 2469.45 [H][C@](N)(CCCCN)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CCCCN)C(O)=O
7735 DB11335 experimental Ascorbyl glucoside 338.27 OC[C@H](O)[C@H]1OC(=O)C(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O
7736 DB11336 approved Kinetin 215.21 C(NC1=NC=NC2=C1NC=N2)C1=CC=CO1
7737 DB11337 experimental Zeatin 219.24 C\C(CO)=C/CNC1=C2N=CNC2=NC=N1
7738 DB11340 approved; investigational Ubiquinol 865.36 COC1=C(OC)C(O)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(C)=C1O
7739 DB11342 approved Aluminum oxide 101.96 [O--].[O--].[O--].[Al+3].[Al+3]
7740 DB11343 approved Silanol 48.12 O[SiH3]
7741 DB11344 experimental (+)-menthol 156.27 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O
7742 DB11345 experimental (S)-camphor 152.23 CC1(C)[C@H]2CC[C@]1(C)C(=O)C2
7743 DB11346 approved; investigational Rubidium 85.47 [Rb]
7744 DB11348 approved Calcium Phosphate 310.18 [Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O
7745 DB11359 approved Guaiacol 124.14 COC1=C(O)C=CC=C1
7746 DB11362 approved Selexipag 496.63 CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)C1=NC(C2=CC=CC=C2)=C(N=C1)C1=CC=CC=C1
7747 DB11363 approved; investigational Alectinib 482.62 CCC1=CC2=C(C=C1N1CCC(CC1)N1CCOCC1)C(C)(C)C1=C(C3=C(N1)C=C(C=C3)C#N)C2=O
7748 DB11364 experimental Pidotimod 244.27 OC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1
7749 DB11366 investigational Roquinimex 308.34 CN(C(=O)C1=C(O)C2=C(C=CC=C2)N(C)C1=O)C1=CC=CC=C1
7750 DB11367 withdrawn Cefroxadine 365.40 [H][C@]12SCC(OC)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O
7751 DB11368 experimental Chlorophetanol 172.61 OCCOC1=CC=C(Cl)C=C1
7752 DB11369 experimental; vet_approved Afoxolaner 625.88 FC(F)(F)CNC(=O)CNC(=O)C1=C2C=CC=CC2=C(C=C1)C1=NOC(C1)(C1=CC(=CC(Cl)=C1)C(F)(F)F)C(F)(F)F
7753 DB11371 vet_approved Alfaxalone 332.48 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C(=O)C[C@]12C)C(C)=O
7754 DB11372 vet_approved Altrenogest 310.44 [H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]
7755 DB11373 experimental; vet_approved Amitraz 293.41 CN(\C=N\C1=C(C)C=C(C)C=C1)\C=N\C1=C(C)C=C(C)C=C1
7756 DB11376 investigational; vet_approved Azaperone 327.40 FC1=CC=C(C=C1)C(=O)CCCN1CCN(CC1)C1=CC=CC=N1
7757 DB11377 vet_approved Bambermycins 1597.61 [H]\C(CC\C(C)=C(/[H])CCOC(=O)[C@]([H])(O)COP(O)(=O)O[C@@]1([H])O[C@]([H])(C(O)=O)[C@@](C)(O)[C@]([H])(OC(O)=N)[C@@]1([H])O[C@]1([H])O[C@]([H])(CO[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O[C@]2([H])O[C@]([H])(C)[C@@]([H])(O[C@]3([H])O[C@]([H])(C(O)=NC4=C(O)CCC4=O)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O)=C(\[H])C(C)(C)CCC(=C)C\C([H])=C(/C)CCC=C(C)C
7758 DB11378 experimental; vet_approved Buquinolate 361.44 CCOC(=O)C1=CNC2=CC(OCC(C)C)=C(OCC(C)C)C=C2C1=O
7759 DB11379 experimental; vet_approved Butonate 327.52 CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC
7760 DB11380 experimental; vet_approved Cambendazole 302.35 CC(C)OC(=O)NC1=CC2=C(NC(=N2)C2=CSC=N2)C=C1
7761 DB11383 vet_approved Carbomycin 841.98 [H]\C1=C([H])/[C@]2([H])O[C@@]2([H])C[C@@]([H])(C)OC(=O)C[C@@]([H])(OC(C)=O)[C@]([H])(OC)[C@@]([H])(O[C@]2([H])O[C@]([H])(C)[C@@]([H])(O[C@@]3([H])C[C@@](C)(O)[C@@]([H])(OC(=O)CC(C)C)[C@]([H])(C)O3)[C@]([H])(N(C)C)[C@@]2([H])O)[C@@]([H])(CC=O)C[C@@]([H])(C)C1=O
7762 DB11385 experimental; vet_approved Cefalonium 458.51 [H][C@]12SCC(C[N+]3=CC=C(C=C3)C(N)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CS1)C([O-])=O
7763 DB11386 approved; investigational; vet_approved Chlorobutanol 177.45 CC(C)(O)C(Cl)(Cl)Cl
7764 DB11387 approved; vet_approved Chloroform 119.38 ClC(Cl)Cl
7765 DB11389 vet_approved Clorsulon 380.64 NC1=C(C=C(C(=C1)C(Cl)=C(Cl)Cl)S(N)(=O)=O)S(N)(=O)=O
7766 DB11390 vet_approved Coumaphos 362.77 CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2
7767 DB11392 vet_approved Cythioate 297.28 COP(=S)(OC)OC1=CC=C(C=C1)S(N)(=O)=O
7768 DB11393 experimental; vet_approved Danofloxacin 357.39 [H][C@]12CN(C3=C(F)C=C4C(=O)C(=CN(C5CC5)C4=C3)C(O)=O)[C@]([H])(CN1C)C2
7769 DB11394 experimental; vet_approved Decoquinate 417.55 CCCCCCCCCCOC1=C(OCC)C=C2NC=C(C(=O)OCC)C(=O)C2=C1
7770 DB11395 vet_approved Deracoxib 397.37 COC1=C(F)C=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)F
7771 DB11396 experimental; vet_approved Dichlorophen 269.12 OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O
7772 DB11397 vet_approved Dichlorvos 220.98 COP(=O)(OC)OC=C(Cl)Cl
7773 DB11398 investigational; vet_approved Diclazuril 407.64 OC1=NC(=O)N(N=C1)C1=CC(Cl)=C(C(C#N)C2=CC=C(Cl)C=C2)C(Cl)=C1
7774 DB11399 investigational; vet_approved Dirlotapide 674.72 CN(CC1=CC=CC=C1)C(=O)[C@@H](NC(=O)C1=CC2=C(C=CC(NC(=O)C3=CC=CC=C3C3=CC=C(C=C3)C(F)(F)F)=C2)N1C)C1=CC=CC=C1
7775 DB11400 vet_approved Doramectin 899.13 [H]\C1=C(C)/[C@@]([H])(O[C@@]2([H])C[C@]([H])(OC)[C@@]([H])(O[C@@]3([H])C[C@]([H])(OC)[C@@]([H])(O)[C@]([H])(C)O3)[C@]([H])(C)O2)[C@@]([H])(C)\C([H])=C(/[H])\C(\[H])=C2/CO[C@]3([H])[C@]([H])(O)C(C)=C[C@@]([H])(C(=O)O[C@@]4([H])C[C@@]([H])(C1)O[C@@]1(C4)O[C@]([H])(C4CCCCC4)[C@@]([H])(C)C=C1)[C@]23O
7776 DB11401 vet_approved Efrotomycin 1145.35 [H]\C(C)=C(\[H])/C(/[H])=C(\[H])C1OC(O)(C(CC)C(O)=NC\C([H])=C(/[H])\C(\[H])=C(/C)C(OC)C(C)C2OC(\C([H])=C(/[H])\C(\[H])=C(/[H])C([H])=C(C)C(\O)=C3\C(=O)C=CN(C)C3=O)C(O)C2O)C(O)C(OC2OC(C)C(OC3OC(C)C(OC)C(O)C3OC)C(OC)C2O)C1(C)C
7777 DB11403 investigational; vet_approved Emodepside 1119.41 [H][C@]1(C)OC(=O)[C@]([H])(CC(C)C)N(C)C(=O)[C@@]([H])(CC2=CC=C(C=C2)N2CCOCC2)OC(=O)[C@]([H])(CC(C)C)N(C)C(=O)[C@@]([H])(C)OC(=O)[C@]([H])(CC(C)C)N(C)C(=O)[C@@]([H])(CC2=CC=C(C=C2)N2CCOCC2)OC(=O)[C@]([H])(CC(C)C)N(C)C1=O
7778 DB11404 vet_approved Enrofloxacin 359.40 CCN1CCN(CC1)C1=CC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O
7779 DB11405 vet_approved Eprinomectin 900.12 [H]O[C@@H]1C(C)=C[C@@]2([H])C(=O)O[C@@]3([H])C[C@@]([H])(C\C=C(C)/[C@@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@@H](OC)[C@H](N([H])C(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C/C=C4/CO[C@@]1([H])[C@]24O[H])O[C@@]1(C3)O[C@H](C(C)C)[C@@H](C)C=C1
7780 DB11408 vet_approved Famphur 325.33 COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C
7781 DB11409 experimental; vet_approved Febantel 446.48 COCC(=O)NC1=C(C=CC(SC2=CC=CC=C2)=C1)N=C(NC(=O)OC)NC(=O)OC
7782 DB11410 vet_approved Fenbendazole 299.35 COC(=O)NC1=NC2=C(N1)C=CC(SC1=CC=CC=C1)=C2
7783 DB11411 vet_approved Fenprostalene 402.49 COC(=O)CCC=C=CC[C@@H]1[C@H](O)C[C@H](O)[C@H]1\C=C\[C@H](O)COC1=CC=CC=C1
7784 DB11412 vet_approved Fenthion 278.33 COP(=S)(OC)OC1=CC=C(SC)C(C)=C1
7785 DB11413 experimental; vet_approved Florfenicol 358.21 CS(=O)(=O)C1=CC=C(C=C1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl
7786 DB11414 experimental; vet_approved Fluralaner 556.29 CC1=CC(=CC=C1C(=O)NCC(=O)NCC(F)(F)F)C1=NOC(C1)(C1=CC(Cl)=CC(Cl)=C1)C(F)(F)F
7787 DB11416 vet_approved Gamithromycin 777.05 [H][C@@]1(C)C[C@]([H])(N(C)C)[C@@]([H])(O)[C@]([H])(O[C@]2([H])[C@@]([H])(C)[C@]([H])(O[C@@]3([H])C[C@@](C)(OC)[C@@]([H])(O)[C@]([H])(C)O3)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@@](C)(O)[C@]([H])(O)[C@@]([H])(C)CN(CCC)[C@]([H])(C)C[C@@]2(C)O)O1
7788 DB11417 vet_approved Gleptoferron 477.17 [Fe+].OO.[H]C(O)(CO[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)C([H])(O)C([H])(O)C([H])(O)C([H])(O)C([O-])=O
7789 DB11419 vet_approved Haloxon 415.58 CC1=C(Cl)C(=O)OC2=C1C=CC(OP(=O)(OCCCl)OCCCl)=C2
7790 DB11420 experimental; vet_approved Squalane 422.83 CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C
7791 DB11421 vet_approved Imidacloprid 255.66 [O-][N+](=O)\N=C1/NCCN1CC1=CC=C(Cl)N=C1
7792 DB11423 vet_approved Lasalocid 590.80 [H][C@@](C)(CCC1=C(C(O)=O)C(O)=C(C)C=C1)[C@]([H])(O)[C@]([H])(C)C(=O)[C@]([H])(CC)[C@@]1([H])O[C@@](CC)(C[C@]1([H])C)[C@@]1([H])CC[C@](O)(CC)[C@]([H])(C)O1
7793 DB11424 experimental; vet_approved Lufenuron 511.15 FC(C(F)(F)F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C(Cl)=C1
7794 DB11425 experimental; vet_approved Luprostiol 444.97 O[C@H](COC1=CC(Cl)=CC=C1)CS[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1C\C=C/CCCC(O)=O
7795 DB11426 vet_approved Marbofloxacin 362.36 CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN3N(C)COC1=C23)C(O)=O
7796 DB11427 vet_approved Maropitant 468.69 [H][C@]1(NCC2=CC(=CC=C2OC)C(C)(C)C)C2CCN(CC2)[C@@]1([H])C(C1=CC=CC=C1)C1=CC=CC=C1
7797 DB11428 experimental; vet_approved Medetomidine 200.28 CC(C1=CN=CN1)C1=CC=CC(C)=C1C
7798 DB11429 vet_approved Mibolerone 302.46 [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H]
7799 DB11430 experimental; vet_approved Monensin 670.88 [H][C@@]1(C[C@H](C)[C@@]([H])(O1)[C@]1(CC)CC[C@@]([H])(O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@]([H])(O2)[C@@H](C)[C@@H](OC)[C@H](C)C(O)=O)O1)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C
7800 DB11431 approved; investigational; vet_approved Moxidectin 639.83 [H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(C\C(=N/OC)[C@H](C)[C@H](O5)C(\C)=C\C(C)C)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

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