Approved Ligands

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8 Items

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  1. Ranitidine, Antagonist of H 2 receptor
    Cas#: 66357-35-5        Compound CID:  3001055
    Formula:  C13H22N4O3S        Molecular Weight: 314.39
    IUPAC Name: (E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
    SMILES: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C
    InChIKey: VMXUWOKSQNHOCA-UKTHLTGXSA-N
    InChI: InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
  2. Pitolisant, Histamine H3 receptor inverse agonist
    Cas#: 362665-56-3        Compound CID:  9948102
    Formula:  C17H26ClNO        Molecular Weight: 295.85
    IUPAC Name: 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine
    SMILES: C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl
    InChIKey: NNACHAUCXXVJSP-UHFFFAOYSA-N
    InChI: InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
    Synonyms: 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine | NNACHAUCXXVJSP-UHFFFAOYSA-N | Pitolisant | DB11642 | NSC-523123 |...
  3. 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...
  4. 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 | ...
  5. 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 | ...
  6. CH5424802, Inhibitor of ALK receptor tyrosine kinase;Inhibitor of MET proto-oncogene; receptor tyrosine kinase
    Cas#: 1256580-46-7        Compound CID:  49806720
    Formula:  C30H34N4O2        Molecular Weight: 482.62
    IUPAC Name: 9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
    SMILES: CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C
    InChIKey: KDGFLJKFZUIJMX-UHFFFAOYSA-N
    InChI: InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
    Synonyms: Alectinib|1256580-46-7|CH5424802|AF-802|CH 5424802|AF802|RO5424802|UNII-LIJ4CT1Z3Y|Alectinib (CH5424802)|LIJ4CT1Z3Y|C...
  7. CH5424802, Inhibitor of ALK receptor tyrosine kinase;Inhibitor of MET proto-oncogene; receptor tyrosine kinase
    Cas#: 1256580-46-7        Compound CID:  49806720
    Formula:  C30H34N4O2        Molecular Weight: 482.62
    IUPAC Name: 9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
    SMILES: CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C
    InChIKey: KDGFLJKFZUIJMX-UHFFFAOYSA-N
    InChI: InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3
    Synonyms: AF 802 | SR-01000389722-2 | 9-ETHYL-6,6-DIMETHYL-8-[4-(MORPHOLIN-4-YL)PIPERIDIN-1-YL]-11-OXO-5H,6H,11H-BENZO[B]CARBAZ...
  8. Ranitidine, Antagonist of H 2 receptor
    Cas#: 66357-35-5        Compound CID:  3001055
    Formula:  C13H22N4O3S        Molecular Weight: 314.39
    IUPAC Name: (E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
    SMILES: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C
    InChIKey: VMXUWOKSQNHOCA-UKTHLTGXSA-N
    InChI: InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
    Synonyms: ranitidine|66357-35-5|Ranitidine Base|ranitidine hydrochloride|Coralen|Gastrial|Quantor|Raticina|Rantidine|ZANTAC|Ran...
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