Approved Ligands

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9 Items

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  1. Melatonin, Antagonist of 5-HT 2B receptor;Agonist of MT 1 receptor;Agonist of MT 2 receptor
    Cas#: 73-31-4        Compound CID:  896
    Formula:  C13H16N2O2        Molecular Weight: 232.28
    IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
    InChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-N
    InChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
  2. Iloprost, Prostanoid IP receptor agonist
    Cas#: 78919-13-8        Compound CID:  5311181
    Formula:  C22H32O4        Molecular Weight: 360.49
    IUPAC 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 acid
    SMILES: CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O
    InChIKey: HIFJCPQKFCZDDL-ACWOEMLNSA-N
    InChI: 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/s1
    Synonyms: EX-A6213 | SR-05000001498 | BDBM23954 | E-1030 | JED5K35YGL | SR-05000001498-2 | Ventavis | DB01088 | ZK-36374 | EX-A...
  3. Prostaglandin E1, Prostanoid EP2 receptor agonist
    Cas#: 745-65-3        Compound CID:  5280723
    Formula:  C20H34O5        Molecular Weight: 354.48
    IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
    SMILES: CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O
    InChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-N
    InChI: 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/s1
    Synonyms: (-)-Prostaglandin E1 | Prostaglandin E1alpha | AI3-62116 | Prostandin | Prostivas | U 10136 | ALPROSTADIL [VANDF] | H...
  4. alpha-methyl-L-tyrosine, Tyrosine 3-hydroxylase inhibitor
    Cas#: 672-87-7        Compound CID:  441350
    Formula:  C10H13NO3        Molecular Weight: 195.22
    IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
    SMILES: CC(CC1=CC=C(C=C1)O)(C(=O)O)N
    InChIKey: NHTGHBARYWONDQ-JTQLQIEISA-N
    InChI: InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1
    Synonyms: DTXCID203315 | Metirosina [INN-Spanish] | Metirosinum | Metyrosine [USAN] | MFCD00064201 | NCGC00094144-03 | s8033 | ...
  5. α-Methyl-L-tyrosine
    Cas#: 672-87-7        Compound CID:  441350
    Formula:  C10H13NO3        Molecular Weight: 195.22
    IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
    SMILES: CC(CC1=CC=C(C=C1)O)(C(=O)O)N
    InChIKey: NHTGHBARYWONDQ-JTQLQIEISA-N
    InChI: InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1
    Synonyms: DTXCID203315 | Metirosina [INN-Spanish] | Metirosinum | Metyrosine [USAN] | MFCD00064201 | NCGC00094144-03 | s8033 | ...
  6. Misoprostol, Prostanoid EP3 receptor agonist
    Cas#: 59122-46-2        Compound CID:  5282381
    Formula:  C22H38O5        Molecular Weight: 382.53
    IUPAC Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
    SMILES: CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O
    InChIKey: OJLOPKGSLYJEMD-URPKTTJQSA-N
    InChI: 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/s1
    Synonyms: misoprostol|59122-46-2|Cytotec|Isprelor|Misoprostolum|Misoprost|Misoprostil|Misotol|SC-29333|Misogon|Misotac|Misopros...
  7. Misoprostol, Prostanoid EP3 receptor agonist
    Cas#: 59122-46-2        Compound CID:  5282381
    Formula:  C22H38O5        Molecular Weight: 382.53
    IUPAC Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
    SMILES: CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O
    InChIKey: OJLOPKGSLYJEMD-URPKTTJQSA-N
    InChI: 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/s1
    Synonyms: Cytotec (TN) | Isprelor | (+-)-Methyl (1R,2R,3R)-3-hydroxy-2-((E)-(4RS)-4-hydroxy-4-methyl-1-octenyl)-5-oxocyclopenta...
  8. tasimelteon, Melatonin receptor agonist
    Cas#: 609799-22-6        Compound CID:  10220503
    Formula:  C15H19NO2        Molecular Weight: 245.322
    IUPAC Name: N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide
    SMILES: CCC(=O)NCC1CC1C2=C3CCOC3=CC=C2
    InChIKey: PTOIAAWZLUQTIO-GXFFZTMASA-N
    InChI: InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
    Synonyms: Tasimelteon|609799-22-6|Hetlioz|VEC-162|BMS-214778|VEC 162|BMS 214778|tasimelteonum|UNII-SHS4PU80D9|SHS4PU80D9|BMS214...
  9. Prostaglandin E₂, Prostaglandin E2 receptor agonist
    Cas#: 363-24-6        Compound CID:  5280360
    Formula:  C20H32O5        Molecular Weight: 352.47
    IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
    SMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
    InChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-N
    InChI: 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/s1
    Synonyms: (E,2R,3R)-7-[3-hydroxy-2-[(3S)-(3-hydroxy-1-octenyl)]-5-oxocyclopentyl]-5-heptenoic acid | l-Prostaglandin E2 | Prost...
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