Approved Ligands
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Ribavirin, Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitorCas#: 36791-04-5 Compound CID: 37542Formula: C8H12N4O5 Molecular Weight: 244.2IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamideSMILES: C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)NInChIKey: IWUCXVSUMQZMFG-AFCXAGJDSA-NInChI: InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1Synonyms: KBioSS_002331 | RBV | Ribavirin Teva | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-tr...
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Eltrombopag, Agonist of Thrombopoietin receptorCas#: 496775-61-2 Compound CID: 135449332Formula: C25H22N4O4 Molecular Weight: 442.47IUPAC Name: 3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoic acidSMILES: CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)CInChIKey: SVOQIEJWJCQGDQ-UHFFFAOYSA-NInChI: InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)Synonyms: BCP9000641 | D02363 | CHEBI:85010 | EN300-1709152 | XDXWLKQMMKQXPV-UHFFFAOYSA-N | SB497115 | SB-497115 | 3'-[(2Z)- [1...
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lusutrombopag, Thrombopoietin receptor agonistCas#: 1110766-97-6 Compound CID: 49843517Formula: C29H32Cl2N2O5S Molecular Weight: 591.54IUPAC Name: (E)-3-[2,6-dichloro-4-[[4-[3-[(1S)-1-hexoxyethyl]-2-methoxyphenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acidSMILES: CCCCCCOC(C)C1=CC=CC(=C1OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)C=C(C)C(=O)O)ClInChIKey: NOZIJMHMKORZBA-KJCUYJGMSA-NInChI: InChI=1S/C29H32Cl2N2O5S/c1-5-6-7-8-12-38-18(3)20-10-9-11-21(26(20)37-4)25-16-39-29(32-25)33-27(34)19-14-23(30)22(24(31)15-19)13-17(2)28(35)36/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,35,36)(H,32,33,34)/b17-13+/t18-/m0/s1Synonyms: (2E)-3-(2,6-Dichloro-4-((4-(3-((1S)-1-(hexyloxy)ethyl)-2-methoxyphenyl)-1,3-thiazol-2-yl)carbamoyl)phenyl)-2-methylpr...
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Mycophenolate mofetil, Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitorCas#: 128794-94-5 Compound CID: 5281078Formula: C23H31NO7 Molecular Weight: 433.49IUPAC Name: 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoateSMILES: CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)OInChIKey: RTGDFNSFWBGLEC-SYZQJQIISA-NInChI: InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+Synonyms: 2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate | AB01274794...
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lusutrombopag, Thrombopoietin receptor agonistCas#: 1110766-97-6 Compound CID: 49843517Formula: C29H32Cl2N2O5S Molecular Weight: 591.54IUPAC Name: (E)-3-[2,6-dichloro-4-[[4-[3-[(1S)-1-hexoxyethyl]-2-methoxyphenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acidSMILES: CCCCCCOC(C)C1=CC=CC(=C1OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)C=C(C)C(=O)O)ClInChIKey: NOZIJMHMKORZBA-KJCUYJGMSA-NInChI: InChI=1S/C29H32Cl2N2O5S/c1-5-6-7-8-12-38-18(3)20-10-9-11-21(26(20)37-4)25-16-39-29(32-25)33-27(34)19-14-23(30)22(24(31)15-19)13-17(2)28(35)36/h9-11,13-16,18H,5-8,12H2,1-4H3,(H,35,36)(H,32,33,34)/b17-13+/t18-/m0/s1Synonyms: (2E)-3-(2,6-Dichloro-4-((4-(3-((1S)-1-(hexyloxy)ethyl)-2-methoxyphenyl)-1,3-thiazol-2-yl)carbamoyl)phenyl)-2-methylpr...
