Approved Ligands

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  1. Dipyridamole, 3',5'-cyclic phosphodiesterase inhibitor
    Cas#: 58-32-2        Compound CID:  3108
    Formula:  C24H40N8O4        Molecular Weight: 504.63
    IUPAC Name: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
    SMILES: C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO
    InChIKey: IZEKFCXSFNUWAM-UHFFFAOYSA-N
    InChI: InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
    Synonyms: (3E)-3-[[(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methylene]dihydro-5-methoxy-2(3H)3-[(1E)-...
  2. Metyrapone
      Grade & Purity: 
    • ≥98%
    Cas#: 54-36-4        Compound CID:  4174
    Formula:  C14H14N2O        Molecular Weight: 226.27
    IUPAC Name: 2-methyl-1,2-dipyridin-3-ylpropan-1-one
    SMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2
    InChIKey: FJLBFSROUSIWMA-UHFFFAOYSA-N
    InChI: InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
    Synonyms: AMY832 | Metopiron | METOPIRONE (TN) | METYRAPONE [INN] | Metroprione | Methopyrinine | metyrapone | Tox21_110323_1 |...
  3. Ponatinib (AP24534), Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of cyclin dependent kinase 19;Inhibitor of cyclin dependent kinase 8;Inhibitor of receptor interacting serine/threonine kinase 1;Inhibitor of receptor interacting serine/threonine k
    Cas#: 943319-70-8        Compound CID:  24826799
    Formula:  C29H27F3N6O        Molecular Weight: 532.57
    IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
    SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5
    InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N
    InChI: InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
    Synonyms: 4340891KFS | BDBM50322535 | Dithioglycerol (VAN) | 3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-n-{4-[(4-meth...
  4. Fadrozole (CGS16949A), Inhibitor of CYP11B1;Inhibitor of CYP11B2;Inhibitor of CYP19A1
    Cas#: 102676-47-1        Compound CID:  59693
    Formula:  C14H13N3        Molecular Weight: 223.27
    IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
    SMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N
    InChIKey: CLPFFLWZZBQMAO-UHFFFAOYSA-N
    InChI: InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
    Synonyms: (Rac)-FAD286 | CGS 16949A free base
  5. Metyrapone
      Grade & Purity: 
    • 10mM in DMSO
    Cas#: 54-36-4        Compound CID:  4174
    Formula:  C14H14N2O        Molecular Weight: 226.27
    IUPAC Name: 2-methyl-1,2-dipyridin-3-ylpropan-1-one
    SMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2
    InChIKey: FJLBFSROUSIWMA-UHFFFAOYSA-N
    InChI: InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
    Synonyms: metyrapone|54-36-4|2-Methyl-1,2-di-3-pyridyl-1-propanone|Metopirone|Methopyrapone|Metopiron|Methapyrapone|Methopirapo...
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