Approved Ligands

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  1. Romidepsin (FK228, Depsipeptide), Histone deacetylase inhibitor
    Cas#: 128517-07-7        Compound CID:  5352062
    Formula:  C24H36N4O6S2        Molecular Weight: 540.7
    IUPAC Name: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
    SMILES: CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C
    InChIKey: OHRURASPPZQGQM-GCCNXGTGSA-N
    InChI: InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
    Synonyms: Methoxiphenadrinum | Depsipeptide | DEPSIPEPTIDE [WHO-DD] | Romidepsin (FK228) | Chromadax | L-Valine,3-didehydro-2- ...
  2. 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)-...
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