Approved Ligands

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  1. Donepezil hydrochloride monohydrate, Inhibitor of acetylcholinesterase (Cartwright blood group)
    Cas#: 120014-06-4        Compound CID:  3152
    Formula:  C24H29NO3 · HCl · H2O        Molecular Weight: 433.97
    IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
    SMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC
    InChIKey: ADEBPBSSDYVVLD-UHFFFAOYSA-N
    InChI: InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
    Synonyms: NSC 737535 | DONEPEZIL [MI] | (RS)-2-[(1-BENZYL-4-PIPERIDYL)METHYL]-5,6-DIMETHOXYINDAN-1-ONE | 8SSC91326P | SCHEMBL82...
  2. 1,2,3,4-Tetrahydroacridin-9-amine, Inhibitor of acetylcholinesterase (Cartwright blood group);Inhibitor of butyrylcholinesterase;Allosteric modulator of M 1 receptor;Allosteric modulator of M 2 receptor
    Cas#: 321-64-2        Compound CID:  1935
    Formula:  C13H14N2        Molecular Weight: 198.26
    IUPAC Name: 1,2,3,4-tetrahydroacridin-9-amine
    SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)N
    InChIKey: YLJREFDVOIBQDA-UHFFFAOYSA-N
    InChI: InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
    Synonyms: Acridine, 9-amino-1,2,3,4-tetrahydro- | KBioGR_001337 | NCGC00015054-06 | SY138494 | Tetrahydroaminoacridine | Acridi...
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