Approved Ligands

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  1. Fingolimod, Activator of K ir3.4;Agonist of S1P 1 receptor;Agonist of S1P 5 receptor;Channel blocker of TRPM7
    Cas#: 162359-55-9        Compound CID:  107970
    Formula:  C19H33NO2        Molecular Weight: 307.47
    IUPAC Name: 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
    SMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
    InChIKey: KKGQTZUTZRNORY-UHFFFAOYSA-N
    InChI: InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
    Synonyms: BRD-K88025533-003-01-7 | GTPL2407 | C19H33NO2 | CS-0030669 | FINGOLIMOD [VANDF] | FINGOLIMOD (MART.) | STL445699 | BC...
  2. Sunitinib
    Cas#: 557795-19-4        Compound CID:  5329102
    Formula:  C22H27FN4O2        Molecular Weight: 398.47
    IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
    SMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C
    InChIKey: WINHZLLDWRZWRT-ATVHPVEESA-N
    InChI: InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
    Synonyms: 1H-Pyrrole-3-carboxamide,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl- | D08552 | C22H27FN4O2 | N-(2-(Diet...
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