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monogenic disease (DOID:0050177)

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  1. BQ-123, Antagonist of ET A receptor
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    BQ-123, Antagonist of ET A receptor
    CAS: 136553-81-6 Formula: C31H42N6O7 Molecular Weight: 610.7
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: B275090
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    IUPAC Name
    2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]show more
    SMILES
    CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43
    InChIKey
    VYCMAAOURFJIHD-PJNXIOHISA-N
    InChI
    1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/show more
    Synonyms
    2-((3R,6S,9R,12R,17aS)-9-((1H-indol-3-yl)methyl)-6-isobutyl-3-isopropyl-1,4,7,10,13-pentaoxohexadecahydro-1H-pyrrolo[...
  2. GSK-1016790A, Activator of TRPV4
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    GSK-1016790A, Activator of TRPV4
    CAS: 942206-85-1 Formula: C28H32Cl2N4O6S2 Molecular Weight: 655.61
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: G275374
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    IUPAC Name
    N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
    SMILES
    CC(C)CC(C(=O)N1CCN(CC1)C(=O)C(CO)NS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC4=CC=CC=C4S3
    InChIKey
    IVYQPSHHYIAUFO-VXKWHMMOSA-N
    InChI
    1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/hshow more
    Synonyms
    GSK101 | HY-19608 | GSK 1016790A | N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]pipera...
  3. GW 1929 hydrochloride
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    GW 1929 hydrochloride
    CAS: 1217466-21-1 PubChem CID: 56972174 Formula: C30H29N3O4•HCl Molecular Weight: 532.03
    ≥98%(HPLC)
    Out of Stock Item #: G286659
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    IUPAC Name
    (2S)-2-(2-benzoylanilino)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;hydrochloride
    SMILES
    CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=CC=CC=N4.Cl
    InChIKey
    KXNKIKXTGRMLEY-YCBFMBTMSA-N
    InChI
    1S/C30H29N3O4.ClH/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23;/h2-18,27,32H,19-show more
    Synonyms
    N-(2-Benzoylphenyl)-O-[2-(methyl-2-pyridinylamino)ethyl]-L-tyrosine hydrochloride
  4. GSK690693, Protein kinase C (PKC) inhibitor
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    GSK690693, Protein kinase C (PKC) inhibitor
    CAS: 937174-76-0 EC Number: 804-554-1 Formula: C21H27N7O3 Molecular Weight: 425.48
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: G127527
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    IUPAC Name
    4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
    SMILES
    CCN1C2=C(C(=NC=C2OCC3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N
    InChIKey
    KGPGFQWBCSZGEL-ZDUSSCGKSA-N
    InChI
    1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,2show more
    Synonyms
    (R)-4-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-3-yl-MeO)-1H-imidazo[4,5-c]pyridin-4-yl)-2-Me-but-3-yn-2...
  5. Luzindole, Antagonist of MT 1 receptor;Antagonist of MT 2 receptor
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    Luzindole, Antagonist of MT 1 receptor;Antagonist of MT 2 receptor
    CAS: 117946-91-5 Formula: C19H20N2O Molecular Weight: 292.37
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥96%
    In Stock Item #: L132758
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    IUPAC Name
    N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide
    SMILES
    CC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3
    InChIKey
    WVVXBPKOIZGVNS-UHFFFAOYSA-N
    InChI
    1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
    Synonyms
    2-Benzyl-N-acetyltryptamine | HMS3411B10 | N-(2-(2-(PHENYLMETHYL)-1H-INDOL-3-YL)ETHYL)ETHANAMIDE | AM20020263 | Q6706...
  6. Nelfinavir Mesylate
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    Nelfinavir Mesylate
    CAS: 159989-65-8 EC Number: 663-870-6 Formula: C33H49N3O7S2 Molecular Weight: 663.89
    ≥98%
    In Stock Item #: N137745
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    IUPAC Name
    (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolineshow more
    SMILES
    CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)O
    InChIKey
    NQHXCOAXSHGTIA-SKXNDZRYSA-N
    InChI
    1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(show more
    Synonyms
    (3S,4aS,8aS)-3-(tert-butylcarbamoyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)buty...
  7. ACHP
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    ACHP
    CAS: 406208-42-2 Formula: C21H24N4O2 Molecular Weight: 364.44
    ≥97%(HPLC)
    In Stock Item #: A288136
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    IUPAC Name
    2-amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
    SMILES
    C1CC1COC2=CC=CC(=C2C3=NC(=C(C(=C3)C4CCNCC4)C#N)N)O
    InChIKey
    DYVFBWXIOCLHPP-UHFFFAOYSA-N
    InChI
    1S/C21H24N4O2/c22-11-16-15(14-6-8-24-9-7-14)10-17(25-21(16)23)20-18(26)2-1-3-19(20)27-12-13-4-5-13/h1-3,10,13-14,24,26H,4-9,12H2,(H2,23,25)
    Synonyms
    2-amino-6-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-4-(4-piperidinyl)-3-pyridine-carbonitrile | 2-amino-6-[2-(cyclopro...
  8. GSK1059615, PI3-kinase class I inhibitor
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    GSK1059615, PI3-kinase class I inhibitor
    CAS: 958852-01-2 Formula: C18H11N3O2S Molecular Weight: 333.36
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: G127955
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    IUPAC Name
    (5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
    SMILES
    C1=CC2=NC=CC(=C2C=C1C=C3C(=O)NC(=O)S3)C4=CC=NC=C4
    InChIKey
    QDITZBLZQQZVEE-YBEGLDIGSA-N
    InChI
    1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-
    Synonyms
    Thiodiphenylamin [German] | D70652 | OXIRANE,2-[(PHENYLMETHOXY)METHYL]- | BRD-K06750613-001-01-6 | HY-12036 | NCGC003...
  9. GSK 650394, Inhibitor of serum/glucocorticoid regulated kinase 1;Inhibitor of serum/glucocorticoid regulated kinase 2
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    GSK 650394, Inhibitor of serum/glucocorticoid regulated kinase 1;Inhibitor of serum/glucocorticoid regulated kinase 2
    CAS: 890842-28-1 Formula: C25H22N2O2 Molecular Weight: 382.45
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%(HPLC)
    In Stock Item #: G287167
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    Technical Identifiers
    IUPAC Name
    2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
    SMILES
    C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=C3C=C(C=N4)C5=CC=CC=C5)C(=O)O
    InChIKey
    WVSBGSNVCDAMCF-UHFFFAOYSA-N
    InChI
    1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,2show more
    Synonyms
    MLS006010262 | OXAPROZIN [USP-RS] | SMR004701335 | Q27077915 | AC-32637 | AKOS024457693 | HMS3677P22 | NCGC00250410-1...
  10. GSK 583, Inhibitor of receptor interacting serine/threonine kinase 2
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    GSK 583, Inhibitor of receptor interacting serine/threonine kinase 2
    CAS: 1346547-00-9 Formula: C20H19FN4O2S Molecular Weight: 398.45
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
    In Stock Item #: G286537
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    IUPAC Name
    6-tert-butylsulfonyl-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine
    SMILES
    CC(C)(C)S(=O)(=O)C1=CC2=C(C=CN=C2C=C1)NC3=NNC4=C3C=C(C=C4)F
    InChIKey
    XLOGLWKOHPIJLV-UHFFFAOYSA-N
    InChI
    1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25)
    Synonyms
    GSK 583 | GSK-2616583A
  11. NBI 27914 hydrochloride, Antagonist of CRF 1 receptor
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    NBI 27914 hydrochloride, Antagonist of CRF 1 receptor
    CAS: 184241-44-9 EC Number: 634-053-1 Formula: C18H20Cl4N4 Molecular Weight: 434.19
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    Out of Stock Item #: N332118
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    IUPAC Name
    5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
    SMILES
    CCCN(CC1CC1)C2=NC(=NC(=C2Cl)NC3=C(C=C(C=C3Cl)Cl)Cl)C
    InChIKey
    KNADXBVKFAUMCR-UHFFFAOYSA-N
    InChI
    1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)
    Synonyms
    CAS-29964-84-9 | NCGC00015737-04 | NCGC00015737-05 | NCGC00015737-08 | 4,6-Pyrimidinediamine, 5-chloro-N-(cyclopropyl...
  12. Zolmitriptan, Serotonin 1d (5-HT1d) receptor agonist
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    Zolmitriptan, Serotonin 1d (5-HT1d) receptor agonist
    CAS: 139264-17-8 EC Number: 629-919-0 PubChem CID: 60857 Formula: C16H21N3O2 Molecular Weight: 287.36
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
    In Stock Item #: Z129649
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    IUPAC Name
    (4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
    SMILES
    CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3
    InChIKey
    ULSDMUVEXKOYBU-ZDUSSCGKSA-N
    InChI
    1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
    Synonyms
    NSC-760383 | ZOLMITRIPTAN (EP MONOGRAPH) | Zomigon | AscoTopand | DB00315 | Tox21_111455 | ZOLMITRIPTAN [WHO-DD] | Zo...
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