Approved Ligands

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  1. Sivelestat, Leukocyte elastase inhibitor
    Cas#: 127373-66-4        Compound CID:  107706
    Formula:  C20H22N2O7S        Molecular Weight: 434.46
    IUPAC Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid
    SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)O
    InChIKey: BTGNGJJLZOIYID-UHFFFAOYSA-N
    InChI: InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
    Synonyms: dl-N-Acetylhomocysteinethiolactone | ONO5046;LY544349;EI546 | SIVELESTAT [INN] | SIVELESTAT [MART.] | 2,2-Dimethyl-pr...
  2. Miglustat, Ceramide glucosyltransferase inhibitor
    Cas#: 72599-27-0        Compound CID:  51634
    Formula:  C10H21NO4        Molecular Weight: 219.28
    IUPAC Name: (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
    SMILES: CCCCN1CC(C(C(C1CO)O)O)O
    InChIKey: UQRORFVVSGFNRO-UTINFBMNSA-N
    InChI: InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
    Synonyms: NB-DNJ | 1,5-(Butylimino)-1,5-dideoxy-D-glucitol(2R,3R,4R,5S)-1-Butyl-2-(hydroxymethyl)-3,4,5-piperidinetriol | N-(n-...
  3. Miglustat, Ceramide glucosyltransferase inhibitor
    Cas#: 72599-27-0        Compound CID:  51634
    Formula:  C10H21NO4        Molecular Weight: 219.28
    IUPAC Name: (2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
    SMILES: CCCCN1CC(C(C(C1CO)O)O)O
    InChIKey: UQRORFVVSGFNRO-UTINFBMNSA-N
    InChI: InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
    Synonyms: NCGC00018140-02 | A16AX06 | NB-DNJ | Tox21_110830_1 | 1,5-(Butylimino)-1,5-dideoxy-D-glucitol(2R,3R,4R,5S)-1-Butyl-2-...
  4. Sivelestat sodium salt hydrate, Leukocyte elastase inhibitor
    Cas#: 127373-66-4        Compound CID:  107706
    Formula:  C20H22N2O7S        Molecular Weight: 434.46
    IUPAC Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid
    SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)O
    InChIKey: BTGNGJJLZOIYID-UHFFFAOYSA-N
    InChI: InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)
    Synonyms: dl-N-Acetylhomocysteinethiolactone | ONO5046;LY544349;EI546 | SIVELESTAT [INN] | SIVELESTAT [MART.] | 2,2-Dimethyl-pr...
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