Approved Ligands
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Iloprost, Prostanoid IP receptor agonistCas#: 78919-13-8 Compound CID: 5311181Formula: C22H32O4 Molecular Weight: 360.49IUPAC Name: (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acidSMILES: CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)OInChIKey: HIFJCPQKFCZDDL-ACWOEMLNSA-NInChI: InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1Synonyms: EX-A6213 | SR-05000001498 | BDBM23954 | E-1030 | JED5K35YGL | SR-05000001498-2 | Ventavis | DB01088 | ZK-36374 | EX-A...
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Prostaglandin E1, Prostanoid EP2 receptor agonistCas#: 745-65-3 Compound CID: 5280723Formula: C20H34O5 Molecular Weight: 354.48IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acidSMILES: CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)OInChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-NInChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1Synonyms: (-)-Prostaglandin E1 | Prostaglandin E1alpha | AI3-62116 | Prostandin | Prostivas | U 10136 | ALPROSTADIL [VANDF] | H...
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Sildenafil, Inhibitor of ABCC5;Inhibitor of OATP1B3;Inhibitor of OATP2B1;Inhibitor of phosphodiesterase 5A;Inhibitor of phosphodiesterase 6CCas#: 139755-83-2 Compound CID: 135398744Formula: C22H30N6O4S Molecular Weight: 474.58IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-oneSMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)CInChIKey: BNRNXUUZRGQAQC-UHFFFAOYSA-NInChI: InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)Synonyms: SMR004703325 | Sildenafil- Bio-X | DTXCID003579 | G04BE03 | HSDB 7305 | Spectrum3_001892 | UK-92480 | sildenafilum | ...
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Tadalafil, Phosphodiesterase 5A inhibitorCas#: 171596-29-5 Compound CID: 110635Formula: C22H19N3O4 Molecular Weight: 389.4IUPAC Name: (2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dioneSMILES: CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36InChIKey: WOXKDUGGOYFFRN-IIBYNOLFSA-NInChI: InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1Synonyms: Trans-tadalafil | ADCIRCA | ICOS 351 | Tadalafilo | Ic351 | IC-351 | Tadalafil mylan | (6R,12aR)-6-(1,3-benzodioxol-5...
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Misoprostol, Prostanoid EP3 receptor agonistCas#: 59122-46-2 Compound CID: 5282381Formula: C22H38O5 Molecular Weight: 382.53IUPAC Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoateSMILES: CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)OInChIKey: OJLOPKGSLYJEMD-URPKTTJQSA-NInChI: InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1Synonyms: misoprostol|59122-46-2|Cytotec|Isprelor|Misoprostolum|Misoprost|Misoprostil|Misotol|SC-29333|Misogon|Misotac|Misopros...
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Misoprostol, Prostanoid EP3 receptor agonistCas#: 59122-46-2 Compound CID: 5282381Formula: C22H38O5 Molecular Weight: 382.53IUPAC Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoateSMILES: CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)OInChIKey: OJLOPKGSLYJEMD-URPKTTJQSA-NInChI: InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1Synonyms: Cytotec (TN) | Isprelor | (+-)-Methyl (1R,2R,3R)-3-hydroxy-2-((E)-(4RS)-4-hydroxy-4-methyl-1-octenyl)-5-oxocyclopenta...
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Sildenafil, Inhibitor of ABCC5;Inhibitor of OATP1B3;Inhibitor of OATP2B1;Inhibitor of phosphodiesterase 5A;Inhibitor of phosphodiesterase 6CCas#: 139755-83-2 Compound CID: 135398744Formula: C22H30N6O4S Molecular Weight: 474.58IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-oneSMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)CInChIKey: BNRNXUUZRGQAQC-UHFFFAOYSA-NInChI: InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)Synonyms: SMR004703325 | Sildenafil- Bio-X | DTXCID003579 | G04BE03 | HSDB 7305 | Spectrum3_001892 | UK-92480 | sildenafilum | ...
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Prostaglandin E₂, Prostaglandin E2 receptor agonistCas#: 363-24-6 Compound CID: 5280360Formula: C20H32O5 Molecular Weight: 352.47IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acidSMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)OInChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-NInChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1Synonyms: (E,2R,3R)-7-[3-hydroxy-2-[(3S)-(3-hydroxy-1-octenyl)]-5-oxocyclopentyl]-5-heptenoic acid | l-Prostaglandin E2 | Prost...