Approved Ligands

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  1. Capsaicin, Vanilloid receptor opener
    Cas#: 404-86-4        Compound CID:  1548943
    Formula:  C18H27NO3        Molecular Weight: 305.41
    IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
    SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
    InChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-N
    InChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
    Synonyms: CAPSAICIN (USP-RS) | 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (E)- | N-[(4-Hydroxy-3-methoxyphe...
  2. 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)
  3. Pitolisant, Histamine H3 receptor inverse agonist
    Cas#: 362665-56-3        Compound CID:  9948102
    Formula:  C17H26ClNO        Molecular Weight: 295.85
    IUPAC Name: 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine
    SMILES: C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl
    InChIKey: NNACHAUCXXVJSP-UHFFFAOYSA-N
    InChI: InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
    Synonyms: 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine | NNACHAUCXXVJSP-UHFFFAOYSA-N | Pitolisant | DB11642 | NSC-523123 |...
  4. Capsaicin, Activator of CFTR;Channel blocker of K v1.1;Channel blocker of K v1.2;Channel blocker of K v1.7;Channel blocker of K v3.1;Activator of TRPV1
    Cas#: 404-86-4        Compound CID:  1548943
    Formula:  C18H27NO3        Molecular Weight: 305.41
    IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
    SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
    InChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-N
    InChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
    Synonyms: CAPSAICIN (USP-RS) | 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (E)- | N-[(4-Hydroxy-3-methoxyphe...
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