Approved Ligands

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  1. Hydrochlorothiazide, Thiazide-sensitive sodium-chloride cotransporter inhibitor
    Cas#: 58-93-5        Compound CID:  3639
    Formula:  C7H8ClN3O4S2        Molecular Weight: 297.739
    IUPAC Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
    SMILES: C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl
    InChIKey: JZUFKLXOESDKRF-UHFFFAOYSA-N
    InChI: InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
    Synonyms: Hidrotiazida | Jen-Diril | Nefrix | Thlaretic | Dihydrochlorothiazid | Hidrochlortiazid | Hydro-Diuril | Unipres | Ac...
  2. Metolazone, Thiazide-sensitive sodium-chloride cotransporter inhibitor
    Cas#: 17560-51-9        Compound CID:  4170
    Formula:  C16H16ClN3O3S        Molecular Weight: 365.83
    IUPAC Name: 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide
    SMILES: CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl
    InChIKey: AQCHWTWZEMGIFD-UHFFFAOYSA-N
    InChI: InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)
    Synonyms: CAS-17560-51-9 | Metalazone | METOLAZONE (USP MONOGRAPH) | NSC-759581 | METOLAZONE [USP MONOGRAPH] | UNII-NN9U607695 ...
  3. Chlorothiazide, Inhibitor of Na-Cl symporter
    Cas#: 58-94-6        Compound CID:  2720
    Formula:  C7H6ClN3O4S2        Molecular Weight: 373.44
    IUPAC Name: 6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide
    SMILES: C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2
    InChIKey: JBMKAUGHUNFTOL-UHFFFAOYSA-N
    InChI: InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
    Synonyms: 6-chloro-1,1-dioxo-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide | Spectrum_000134 | 6-chloro-4H-1,2,4-benzothiadiazi...
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