Approved Ligands
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Probenecid, Solute carrier family 22 member 11 inhibitorCas#: 57-66-9 Compound CID: 4911Formula: C13H19NO4S Molecular Weight: 285.36IUPAC Name: 4-(dipropylsulfamoyl)benzoic acidSMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OInChIKey: DBABZHXKTCFAPX-UHFFFAOYSA-NInChI: 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-...
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6-Propyl-2-thiouracil, Thyroid peroxidase inhibitorCas#: 51-52-5 Compound CID: 657298Formula: C7H10N2OS Molecular Weight: 170.23IUPAC Name: 6-propyl-2-sulfanylidene-1H-pyrimidin-4-oneSMILES: CCCC1=CC(=O)NC(=S)N1InChIKey: KNAHARQHSZJURB-UHFFFAOYSA-NInChI: 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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Rucaparib, PARP 1, 2 and 3 inhibitorCas#: 283173-50-2 Compound CID: 9931954Formula: C19H18FN3O Molecular Weight: 323.36IUPAC Name: 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-oneSMILES: CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2InChIKey: HMABYWSNWIZPAG-UHFFFAOYSA-NInChI: InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)Synonyms: Kinome_3180 | Rucaparib free base | 8-FLUORO-2-(4-((METHYLAMINO)METHYL)PHENYL)-4,5-DIHYDRO-1H-AZEPINO[5,4,3-CD]INDOL-...
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Rucaparib, PARP 1, 2 and 3 inhibitorCas#: 283173-50-2 Compound CID: 9931954Formula: C19H18FN3O Molecular Weight: 323.36IUPAC Name: 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-oneSMILES: CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2InChIKey: HMABYWSNWIZPAG-UHFFFAOYSA-NInChI: InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)Synonyms: RUCAPARIB|283173-50-2|AG-14447|Rucaparib free base|Rucaparib (free base)|UNII-8237F3U7EH|Kinome_3180|8237F3U7EH|8-Flu...
