Approved Ligands

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  1. Loxapine, Serotonin 2c (5-HT2c) receptor antagonist
    Cas#: 1977-10-2        Compound CID:  3964
    Formula:  C18H18ClN3O        Molecular Weight: 327.81
    IUPAC Name: 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
    SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
    InChIKey: XJGVXQDUIWGIRW-UHFFFAOYSA-N
    InChI: InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
    Synonyms: AB00053735_16 | Cloxazepine | DTXCID903229 | NCGC00021145-07 | PDSP1_001058 | SCHEMBL94146 | NCGC00021145-05 | NCGC00...
  2. alpha-methyl-L-tyrosine, Tyrosine 3-hydroxylase inhibitor
    Cas#: 672-87-7        Compound CID:  441350
    Formula:  C10H13NO3        Molecular Weight: 195.22
    IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
    SMILES: CC(CC1=CC=C(C=C1)O)(C(=O)O)N
    InChIKey: NHTGHBARYWONDQ-JTQLQIEISA-N
    InChI: InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1
    Synonyms: DTXCID203315 | Metirosina [INN-Spanish] | Metirosinum | Metyrosine [USAN] | MFCD00064201 | NCGC00094144-03 | s8033 | ...
  3. α-Methyl-L-tyrosine
    Cas#: 672-87-7        Compound CID:  441350
    Formula:  C10H13NO3        Molecular Weight: 195.22
    IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
    SMILES: CC(CC1=CC=C(C=C1)O)(C(=O)O)N
    InChIKey: NHTGHBARYWONDQ-JTQLQIEISA-N
    InChI: InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m0/s1
    Synonyms: DTXCID203315 | Metirosina [INN-Spanish] | Metirosinum | Metyrosine [USAN] | MFCD00064201 | NCGC00094144-03 | s8033 | ...
  4. Loxapine, Serotonin 2c (5-HT2c) receptor antagonist
    Cas#: 1977-10-2        Compound CID:  3964
    Formula:  C18H18ClN3O        Molecular Weight: 327.81
    IUPAC Name: 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
    SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
    InChIKey: XJGVXQDUIWGIRW-UHFFFAOYSA-N
    InChI: InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
    Synonyms: AB00053735_16 | Cloxazepine | DTXCID903229 | NCGC00021145-07 | PDSP1_001058 | SCHEMBL94146 | NCGC00021145-05 | NCGC00...
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