Approved Ligands
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Tolrestat, Aldose reductase inhibitorCas#: 82964-04-3 Compound CID: 53359Formula: C16H14F3NO3S Molecular Weight: 357.35IUPAC Name: 2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methylamino]acetic acidSMILES: CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2C(F)(F)F)OCInChIKey: LUBHDINQXIHVLS-UHFFFAOYSA-NInChI: InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)Synonyms: DTXSID80904890 | Tolrestatin | N-(6-Methoxythio-5-(trifluoromethyl)-1-naphthoyl)sarcosine | N-[[6-Methoxy-5-(trifluor...
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Hydrochlorothiazide, Thiazide-sensitive sodium-chloride cotransporter inhibitorCas#: 58-93-5 Compound CID: 3639Formula: C7H8ClN3O4S2 Molecular Weight: 297.739IUPAC Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamideSMILES: C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)ClInChIKey: JZUFKLXOESDKRF-UHFFFAOYSA-NInChI: 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...
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Metolazone, Thiazide-sensitive sodium-chloride cotransporter inhibitorCas#: 17560-51-9 Compound CID: 4170Formula: C16H16ClN3O3S Molecular Weight: 365.83IUPAC Name: 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamideSMILES: CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)ClInChIKey: AQCHWTWZEMGIFD-UHFFFAOYSA-NInChI: 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 ...
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Plerixafor, C-X-C chemokine receptor type 4 partial agonistCas#: 110078-46-1 Compound CID: 65015Formula: C28H54N8 Molecular Weight: 502.78IUPAC Name: 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecaneSMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3InChIKey: YIQPUIGJQJDJOS-UHFFFAOYSA-NInChI: InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2Synonyms: Plerixafor|110078-46-1|Mozobil|AMD3100|1,4-Bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene|Amd 3100|bicycla...
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Chlorothiazide, Inhibitor of Na-Cl symporterCas#: 58-94-6 Compound CID: 2720Formula: C7H6ClN3O4S2 Molecular Weight: 373.44IUPAC Name: 6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamideSMILES: C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2InChIKey: JBMKAUGHUNFTOL-UHFFFAOYSA-NInChI: 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...
