Approved Ligands

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  1. Varenicline, Neuronal acetylcholine receptor; alpha4/beta2 partial agonist
    Cas#: 249296-44-4        Compound CID:  170361
    Formula:  C13H13N3        Molecular Weight: 211.26
    IUPAC Name: 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
    SMILES: C1C2CNCC1C3=CC4=NC=CN=C4C=C23
    InChIKey: JQSHBVHOMNKWFT-UHFFFAOYSA-N
    InChI: InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
    Synonyms: AB01568242_01 | A849621 | Imidazo(2,1-b)thiazole, 2,3,5,6-tetrahydro-6-phenyl-, (6S)- | 5,8,14-triazatetracyclo[10.3....
  2. Bosutinib (SKI-606), Tyrosine-protein kinase Lyn inhibitor
    Cas#: 380843-75-4        Compound CID:  5328940
    Formula:  C26H29Cl2N5O3        Molecular Weight: 530.45
    IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
    SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC
    InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N
    InChI: InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
    Synonyms: SKI-606 | WAY-173606 | Bosutinib,SKI-606 | BSPBio_001023 | NCGC00241107-03 | NSC799367 | NSC-799367 | 4-(2,4-Dichloro...
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