Approved Ligands

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  1. 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...
  2. 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...
  3. Tazemetostat (EPZ-6438), Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit
    Cas#: 1403254-99-8        Compound CID:  66558664
    Formula:  C34H44N4O4        Molecular Weight: 572.74
    IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
    SMILES: CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5
    InChIKey: NSQSAUGJQHDYNO-UHFFFAOYSA-N
    InChI: InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)
    Synonyms: HMS3653O07 | Tazemetostat [USAN:INN] | Tazemetostatum | BCP07409 | HMS3747A09 | SW220030-1 | 5-(Ethyl(tetrahydro-2H-p...
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