List of Ligand

No Ligand ID Drug Group Generic Name MW Edit Smile
7501 DB09313 approved; investigational Ioxaglic acid 1268.89 CNC(=O)C1=C(I)C(C(=O)NCC(=O)NC2=C(I)C(C(O)=O)=C(I)C(C(=O)NCCO)=C2I)=C(I)C(N(C)C(C)=O)=C1I
7502 DB09314 approved; investigational Technetium Tc-99m pertechnetate 169.97 O.O.O.O.[98Tc-]
7503 DB09315 approved Xenon-133 132.91 [133Xe]
7504 DB09316 approved Thallous Chloride 239.83 Cl[Tl]
7505 DB09319 approved; investigational Carindacillin 494.56 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)OC1=CC2=C(CCC2)C=C1)C1=CC=CC=C1)C(O)=O
7506 DB09320 approved; vet_approved Procaine benzylpenicillin 570.71 CCN(CC)CCOC(=O)C1=CC=C(N)C=C1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O
7507 DB09321 approved Zinc oxide 81.41 O=[Zn]
7508 DB09322 approved; investigational Zinc sulfate 161.47 [Zn++].[O-]S([O-])(=O)=O
7509 DB09324 approved Sulbactam 233.24 [H][C@@]12CC(=O)N1[C@@]([H])(C(O)=O)C(C)(C)S2(=O)=O
7510 DB09325 approved Sodium fluoride 41.99 [F-].[Na+]
7511 DB09326 approved Ammonia N-13 16.03 [13NH3]
7512 DB09327 approved; investigational Tegafur-uracil 312.26 O=C1NC=CC(=O)N1.FC1=CN(C2CCCO2)C(=O)NC1=O
7513 DB09330 approved Osimertinib 499.62 COC1=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C
7514 DB09332 approved Kappadione 422.08 [Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1
7515 DB09333 approved; investigational; withdrawn Iopodic acid 597.96 CN(C)C=NC1=C(I)C=C(I)C(CCC(O)=O)=C1I
7516 DB09335 approved; withdrawn Alatrofloxacin 558.52 [H][C@@]12CN(C[C@]1([H])[C@H]2NC(=O)[C@H](C)NC(=O)[C@H](C)N)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O
7517 DB09338 experimental Mersalyl 483.87 COC(CNC(=O)C1=CC=CC=C1OCC(O)=O)C[Hg]O
7518 DB09340 approved Tyropanoic acid 641.03 CCCC(=O)NC1=C(I)C=C(I)C(CC(CC)C(O)=O)=C1I
7519 DB09342 approved Propoxycaine 294.40 CCCOC1=CC(N)=CC=C1C(=O)OCCN(CC)CC
7520 DB09343 approved; investigational Tipiracil 242.66 ClC1=C(CN2CCCC2=N)NC(=O)NC1=O
7521 DB09345 approved Pramocaine 293.41 CCCCOC1=CC=C(OCCCN2CCOCC2)C=C1
7522 DB09346 approved Metrizoic acid 627.94 CN(C(C)=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
7523 DB09347 withdrawn Acetrizoic acid 556.86 CC(=O)NC1=C(I)C(C(O)=O)=C(I)C=C1I
7524 DB09348 approved; withdrawn Propiolactone 72.06 O=C1CCO1
7525 DB09350 approved; vet_approved Piperonyl butoxide 338.44 CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC
7526 DB09351 approved; investigational Levobetaxolol 307.43 CC(C)NC[C@H](O)COC1=CC=C(CCOCC2CC2)C=C1
7527 DB09352 approved Hydroxyamphetamine 151.21 CC(N)CC1=CC=C(O)C=C1
7528 DB09353 approved Octasulfur 256.52 S1SSSSSSS1
7529 DB09355 approved Sulfabenzamide 276.31 NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C1=CC=CC=C1
7530 DB09357 approved Dexpanthenol 205.25 CC(C)(CO)[C@@H](O)C(=O)NCCCO
7531 DB09364 approved Procaine merethoxylline 764.24 O.[Hg+].CCN(CC)CCOC(=O)C1=CC=C(N)C=C1.[CH2]C(CN=C(O)C1=CC=CC=C1OCC([O-])=O)OCCOC
7532 DB09366 approved Propyliodone 447.01 CCCOC(=O)CN1C=C(I)C(=O)C(I)=C1
7533 DB09371 approved Norethynodrel 298.43 [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3
7534 DB09372 approved Tannic acid 1701.21 OC1=CC(=CC(O)=C1O)C(=O)OC1=C(O)C(O)=CC(=C1)C(=O)OC[C@H]1OC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@@H]1OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C(O)=C1
7535 DB09374 approved; investigational Indocyanine green acid form 753.99 CC1(C)\C(=C\C=C\C=C\C=C\C2=[N+](CCCCS(O)(=O)=O)C3=C(C4=CC=CC=C4C=C3)C2(C)C)N(CCCCS(O)(=O)=O)C2=C1C1=CC=CC=C1C=C2
7536 DB09376 approved Lapyrium 363.52 CCCCCCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1
7537 DB09378 approved Fluprednisolone 378.44 [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
7538 DB09380 approved Sodium chromate Cr-51 160.92 [Na+].[Na+].[O-][51Cr]([O-])(=O)=O
7539 DB09383 approved; investigational Meprednisone 372.46 [H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
7540 DB09385 approved; experimental Cyanocobalamin Co-57 1354.40 [C@@H]1(C2[N-]3C4=C(C5=[N]6C(C([C@@H]5CCC(N)=O)(C)C)=CC5=[N]7C(=C(C8=[N]([C@@]2([C@@]([C@@H]8CCC(N)=O)(C)CC(N)=O)C)[57Co+3]367([N]2=CN(C3=C2C=C(C(C)=C3)C)[C@H]2O[C@H](CO)[C@@H](OP([O-])(=O)O[C@H](C)CNC(=O)CC[C@]14C)[C@H]2O)[CH-]#N)C)[C@@]([C@@H]5CCC(N)=O)(C)CC(N)=O)C)CC(N)=O
7541 DB09388 approved Rose bengal I-131 989.67 OC(=O)C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C1=C2C=C([131I])C(=O)C([131I])=C2OC2=C([131I])C(O)=C([131I])C=C12
7542 DB09389 approved Norgestrel 312.45 CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
7543 DB09394 approved Phosphoric acid 98.00 OP(O)(O)=O
7544 DB09395 approved; investigational Sodium acetate 82.03 [Na+].CC([O-])=O
7545 DB09397 approved; investigational Technetium Tc-99m sulfur colloid 355.39 [99Tc].S1SSSSSSS1
7546 DB09398 approved Fluoride ion F-18 18.00 [18F-]
7547 DB09400 approved Selenomethionine Se-75 192.07 C[75Se]CC[C@H](N)C(O)=O
7548 DB09401 approved; investigational Isosorbide 146.14 [H][C@]1(O)CO[C@]2([H])[C@]([H])(O)CO[C@]12[H]
7549 DB09403 approved Iocetamic acid 613.96 CC(CN(C(C)=O)C1=C(I)C=C(I)C(N)=C1I)C(O)=O
7550 DB09407 approved Magnesium chloride 95.21 [Mg++].[Cl-].[Cl-]
7551 DB09409 approved Magnesium acetate tetrahydrate 214.45 O.O.O.O.[Mg++].CC([O-])=O.CC([O-])=O
7552 DB09413 approved; investigational; vet_approved Monopotassium phosphate 136.09 [K+].OP(O)([O-])=O
7553 DB09414 approved Dipotassium phosphate 174.18 [K+].[K+].OP([O-])([O-])=O
7554 DB09415 approved Meglumine 195.22 CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
7555 DB09418 approved; investigational Potassium perchlorate 138.55 [K+].[O-][Cl](=O)(=O)=O
7556 DB09419 approved Xylose 150.13 OC[C@@H](O)[C@H](O)[C@@H](O)C=O
7557 DB09420 approved Iodide I-123 122.91 [123I-]
7558 DB09421 approved; investigational Protirelin 362.38 [H][C@@](CC1=CN=CN1)(NC(=O)[C@]1([H])CCC(=O)N1)C(=O)N1CCC[C@@]1([H])C(N)=O
7559 DB09425 approved Indium In-111 pentetate 501.23 [111In+3].OC(=O)CN(CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)CC(O)=O
7560 DB09443 approved Krypton Kr 81m 80.92 [81Kr]
7561 DB09449 approved Sodium phosphate, monobasic 119.98 [Na+].OP(O)([O-])=O
7562 DB09459 experimental L-tartaric acid 150.09 O[C@H]([C@@H](O)C(O)=O)C(O)=O
7563 DB09460 approved Sodium carbonate 105.99 [Na+].[Na+].[O-]C([O-])=O
7564 DB09462 approved; investigational Glycerin 92.09 OCC(O)CO
7565 DB09472 approved; vet_approved Sodium sulfate 142.04 [Na+].[Na+].[O-]S([O-])(=O)=O
7566 DB09473 approved Indium In-111 oxyquinoline 543.36 [111In+3].[O-]C1=CC=CC2=C1N=CC=C2.[O-]C1=CC=CC2=C1N=CC=C2.[O-]C1=CC=CC2=C1N=CC=C2
7567 DB09477 approved Enalaprilat 348.39 [H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@@]1([H])C(O)=O
7568 DB09479 approved; investigational Rubidium Rb-82 81.92 [82Rb+]
7569 DB09480 approved Iofetamine I-123 299.19 CC(C)NC(C)CC1=CC=C([123I])C=C1
7570 DB09481 approved; investigational Magnesium carbonate 84.31 [Mg++].[O-]C([O-])=O
7571 DB09483 approved Potassium lactate 128.17 [K+].CC(O)C([O-])=O
7572 DB09484 approved Sodium fluorophosphate 143.95 [Na+].[Na+].[O-]P([O-])(F)=O
7573 DB09487 approved Iotrolan 1626.24 CN(C(=O)CC(=O)N(C)C1=C(I)C(C(=O)NC(CO)C(O)CO)=C(I)C(C(=O)NC(CO)C(O)CO)=C1I)C1=C(I)C(C(=O)NC(CO)C(O)CO)=C(I)C(C(=O)NC(CO)C(O)CO)=C1I
7574 DB09488 approved Acrivastine 348.44 [H]\C(CN1CCCC1)=C(\C1=CC=C(C)C=C1)C1=CC=CC(=N1)C(\[H])=C(/[H])C(O)=O
7575 DB09490 approved Indium In-111 chloride 217.26 Cl[111In](Cl)Cl
7576 DB09494 approved Cetyl alcohol 242.44 CCCCCCCCCCCCCCCCO
7577 DB09495 approved; investigational Avobenzone 310.39 COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C
7578 DB09496 approved; investigational Octinoxate 290.40 [H]\C(=C(\[H])C1=CC=C(OC)C=C1)C(=O)OCC(CC)CCCC
7579 DB09498 approved; investigational Strontium chloride Sr-89 159.81 [Cl-].[Cl-].[89Sr++]
7580 DB09499 approved; investigational Thiosulfuric acid 114.14 OS(O)(=O)=S
7581 DB09501 approved; experimental Ferric ammonium citrate 265.00 N.[Fe+3].OC(=O)CC(O)(CC(O)=O)C(O)=O
7582 DB09502 approved; investigational Fludeoxyglucose (18F) 181.15 [H]C(=O)[C@H]([18F])[C@@H](O)[C@H](O)[C@H](O)CO
7583 DB09510 approved Urea C-13 61.05 N[13C](O)=N
7584 DB09512 approved Simethicone 238.46 O=[Si]=O.CO[Si](C)(C)O[Si](C)(C)C
7585 DB09513 approved Urea C-14 62.05 N[14C](N)=O
7586 DB09516 approved Mequinol 124.14 COC1=CC=C(O)C=C1
7587 DB09517 approved Sodium ferric gluconate complex 2089.31 [O--].[O--].[O--].[Na+].[Fe+3].[Fe+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
7588 DB09526 approved; investigational Hydroquinone 110.11 OC1=CC=C(O)C=C1
7589 DB09531 approved Perflexane 338.04 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
7590 DB09534 approved Ecamsule 562.69 CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2=CC1=CC=C(C=C2C3CCC(CS(O)(=O)=O)(C2=O)C3(C)C)C=C1
7591 DB09535 approved; investigational Octocrylene 361.49 CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1
7592 DB09536 approved Titanium dioxide 79.87 O=[Ti]=O
7593 DB09543 approved; vet_approved Methyl salicylate 152.15 COC(=O)C1=CC=CC=C1O
7594 DB09546 approved; investigational Iobenguane sulfate I-123 640.26 OS(O)(=O)=O.NC(=N)NCC1=CC([123I])=CC=C1.NC(=N)NCC1=CC([123I])=CC=C1
7595 DB09552 approved Thonzonium 511.82 CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(OC)C=C1)C1=NC=CC=N1
7596 DB09555 approved Dexchlorpheniramine maleate 390.86 OC(=O)\C=C/C(O)=O.CN(C)CC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=CC=N1
7597 DB09561 approved Sodium glycerophosphate 216.04 [Na+].[Na+].OCC(O)COP([O-])([O-])=O
7598 DB09563 approved Choline C-11 103.17 C[N+](C)([11CH3])CCO
7599 DB09570 approved; investigational Ixazomib 361.03 [H][C@@](CC(C)C)(N=C(O)CN=C(O)C1=C(Cl)C=CC(Cl)=C1)B(O)O
7600 DB09571 approved Levmetamfetamine 149.24 CN[C@H](C)CC1=CC=CC=C1

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