Approved Ligands

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  1. Amrinone, Inhibitor of phosphodiesterase 3A;Inhibitor of phosphodiesterase 3B
    Cas#: 60719-84-8        Compound CID:  3698
    Formula:  C10H9N3O        Molecular Weight: 187.2
    IUPAC Name: 3-amino-5-pyridin-4-yl-1H-pyridin-2-one
    SMILES: C1=CN=CC=C1C2=CNC(=O)C(=C2)N
    InChIKey: RNLQIBCLLYYYFJ-UHFFFAOYSA-N
    InChI: InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
    Synonyms: AKOS005512516 | SPBio_002879 | AMRINONE [VANDF] | GTPL7202 | KBio1_000136 | inamrinone | Tox21_112110 | 3-Amino-5-(4-...
  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-...
  4. Cilostazol, Phosphodiesterase 3A inhibitor
    Cas#: 73963-72-1        Compound CID:  2754
    Formula:  C20H27N5O2        Molecular Weight: 369.46
    IUPAC Name: 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
    SMILES: C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4
    InChIKey: RRGUKTPIGVIEKM-UHFFFAOYSA-N
    InChI: InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)
    Synonyms: 6-(4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydro-2(1H)-quinolinone | CILOSTAZOL [MART.] | REGID_for_CID_2754 |...
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