Approved Ligands

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  1. 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-...
  2. Tofacitinib, Inhibitor of Janus kinase 1;Inhibitor of Janus kinase 2;Inhibitor of Janus kinase 3;Inhibitor of protein kinase N1;Inhibitor of tyrosine kinase 2
    Cas#: 477600-75-2        Compound CID:  9926791
    Formula:  C16H20N6O        Molecular Weight: 312.37
    IUPAC Name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
    SMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
    InChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-N
    InChI: InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
    Synonyms: 1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-.BETA.-OXO-, (3R,4R)- | NSC78235...
  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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