Approved Ligands

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  1. Famotidine, Histamine H2 receptor antagonist
    Cas#: 76824-35-6        Compound CID:  5702160
    Formula:  C8H15N7O2S3        Molecular Weight: 337.45
    IUPAC Name: 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-sulfamoylpropanimidamide
    SMILES: C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N
    InChIKey: XUFQPHANEAPEMJ-UHFFFAOYSA-N
    InChI: InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
    Synonyms: Dipsin | Famogard | Famovane | Nevofam | Pepdif | 4-14-00-00308 (Beilstein Handbook Reference) | Evatin | Famosan | P...
  2. Cobimetinib, Dual specificity mitogen-activated protein kinase kinase 2 inhibitor
    Cas#: 934660-93-2        Compound CID:  16222096
    Formula:  C21H21F3IN3O2        Molecular Weight: 531.31
    IUPAC Name: [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone
    SMILES: C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O
    InChIKey: BSMCAPRUBJMWDF-KRWDZBQOSA-N
    InChI: InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1
    Synonyms: Cobimetinib [USAN:INN] | Cobimetinib [USAN] | MEK Inhibitor GDC-0973 | Q15708292 | [3,4-difluoro-2-(2-fluoro-4-iodoan...
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