Approved Ligands

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  1. Pioglitazone, Agonist of Peroxisome proliferator-activated receptor-γ;Channel blocker of TRPM3
    Cas#: 111025-46-8        Compound CID:  4829
    Formula:  C19H20N2O3S        Molecular Weight: 356.44
    IUPAC Name: 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
    SMILES: CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
    InChIKey: HYAFETHFCAUJAY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
    Synonyms: HMS2089H14 | HY-13956 | KBio2_004671 | PIOGLITAZONE [VANDF] | DTXCID1017129 | 5-((4-(2-(5-Ethyl-2-pyridinyl)ethoxy)ph...
  2. Probenecid, Solute carrier family 22 member 11 inhibitor
    Cas#: 57-66-9        Compound CID:  4911
    Formula:  C13H19NO4S        Molecular Weight: 285.36
    IUPAC Name: 4-(dipropylsulfamoyl)benzoic acid
    SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O
    InChIKey: DBABZHXKTCFAPX-UHFFFAOYSA-N
    InChI: InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
    Synonyms: PROBENECID (USP IMPURITY) | Benemid; Benecid; Benuryl | Benzoic acid, 4-((dipropylamino)sulfonyl)- | PROBENECID [WHO-...
  3. 6-Propyl-2-thiouracil, Thyroid peroxidase inhibitor
    Cas#: 51-52-5        Compound CID:  657298
    Formula:  C7H10N2OS        Molecular Weight: 170.23
    IUPAC Name: 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
    SMILES: CCCC1=CC(=O)NC(=S)N1
    InChIKey: KNAHARQHSZJURB-UHFFFAOYSA-N
    InChI: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)
    Synonyms: BSPBio_000387 | PROPYLTHIOURACIL [IARC] | PROPYLTHIOURACIL [EP MONOGRAPH] | Propylthiouracil; 2,3-dihydro-6-propyl-2-...
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