Approved Ligands

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4 Items

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  1. Trilostane, 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II inhibitor
    Cas#: 13647-35-3        Compound CID:  656583
    Formula:  C20H27NO3        Molecular Weight: 329.44
    IUPAC Name: (1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile
    SMILES: CC12CCC3C(C1CCC2O)CCC45C3(CC(=C(C4O5)O)C#N)C
    InChIKey: KVJXBPDAXMEYOA-CXANFOAXSA-N
    InChI: InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1
    Synonyms: AB01274788_02 | Androstane-2-carbonitrile, 4,5-epoxy-17-hydroxy-3-oxo-, (2-alpha,4-alpha,5-alpha,17-beta)- | DTXCID10...
  2. Meclofenamic Acid, Inhibitor of COX-1;Inhibitor of COX-2;Channel blocker of TRPM4
    Cas#: 644-62-2        Compound CID:  4037
    Formula:  C14H11Cl2NO2        Molecular Weight: 296.15
    IUPAC Name: 2-(2,6-dichloro-3-methylanilino)benzoic acid
    SMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl
    InChIKey: SBDNJUWAMKYJOX-UHFFFAOYSA-N
    InChI: InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
    Synonyms: KBio2_003941 | 2-((2,6-Dichloro-3-methylphenyl)amino)benzoic acid | Arquel Tablets | DTXSID0048559 | GTPL7219 | SBI-0...
  3. Naproxen, Inhibitor of COX-1;Inhibitor of COX-2
    Cas#: 22204-53-1        Compound CID:  156391
    Formula:  C14H14O3        Molecular Weight: 230.26
    IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
    SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
    InChIKey: CMWTZPSULFXXJA-VIFPVBQESA-N
    InChI: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
    Synonyms: NAPROXEN|22204-53-1|(S)-Naproxen|Naprosyn|(+)-Naproxen|Naproxene|Equiproxen|(S)-2-(6-methoxynaphthalen-2-yl)propanoic...
  4. Trilostane, 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II inhibitor
    Cas#: 13647-35-3        Compound CID:  656583
    Formula:  C20H27NO3        Molecular Weight: 329.44
    IUPAC Name: (1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrile
    SMILES: CC12CCC3C(C1CCC2O)CCC45C3(CC(=C(C4O5)O)C#N)C
    InChIKey: KVJXBPDAXMEYOA-CXANFOAXSA-N
    InChI: InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1
    Synonyms: Trilostane|13647-35-3|Modrenal|Vetoryl|Desopan|Modrastane|Trilostano|Trilostanum|Win-24540|WIN 24,540|CHEBI:32260|UNI...
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