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11 项目

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  1. 米拉贝隆
    CAS号 : 223673-61-8        Compound CID : 9865528
    分子式: C21H24N4O2S        分子量: 396.51
    IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
    SMILES: C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O
    InChIKey: PBAPPPCECJKMCM-IBGZPJMESA-N
    InChI: InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1
  2. L-去甲肾上腺素
    CAS号 : 51-41-2        Compound CID : 439260
    分子式: C8H11NO3        分子量: 169.18
    IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
    SMILES: C1=CC(=C(C=C1C(CN)O)O)O
    InChIKey: SFLSHLFXELFNJZ-QMMMGPOBSA-N
    InChI: InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
  3. 纳多洛尔
    CAS号 : 42200-33-9        Compound CID : 39147
    分子式: C17H27NO4        分子量: 309.4
    IUPAC Name: (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
    SMILES: CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O
    InChIKey: VWPOSFSPZNDTMJ-UCWKZMIHSA-N
    InChI: InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
  4. Bupranolol,β肾上腺素受体拮抗剂
    CAS号 : 14556-46-8        Compound CID : 2475
    分子式: C14H22ClNO2        分子量: 271.78
    IUPAC Name: 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol
    SMILES: CC1=CC(=C(C=C1)Cl)OCC(CNC(C)(C)C)O
    InChIKey: HQIRNZOQPUAHHV-UHFFFAOYSA-N
    InChI: InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
  5. 吲哚洛尔
    CAS号 : 13523-86-9        Compound CID : 4828
    分子式: C14H20N2O2        分子量: 248.32
    IUPAC Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
    SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O
    InChIKey: JZQKKSLKJUAGIC-UHFFFAOYSA-N
    InChI: InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
  6. 酒石酸福莫特罗
    CAS号 : 73573-87-2        Compound CID : 3410
    分子式: 19H24N2O4       
    IUPAC Name: N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide
    SMILES: CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O
    InChIKey: BPZSYCZIITTYBL-UHFFFAOYSA-N
    InChI: InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
  7. 非诺特罗
    CAS号 : 13392-18-2        Compound CID : 3343
    分子式: C17H21NO4        分子量: 303.35
    IUPAC Name: 5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
    SMILES: CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=CC(=C2)O)O)O
    InChIKey: LSLYOANBFKQKPT-UHFFFAOYSA-N
    InChI: InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
  8. L-肾上腺素
    CAS号 : 51-43-4        Compound CID : 5816
    分子式: C9H13NO3        分子量: 183.20
    IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
    SMILES: CNCC(C1=CC(=C(C=C1)O)O)O
    InChIKey: UCTWMZQNUQWSLP-VIFPVBQESA-N
    InChI: InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
  9. L-去甲肾上腺素
    CAS号 : 51-41-2        Compound CID : 439260
    分子式: C8H11NO3        分子量: 169.18
    IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
    SMILES: C1=CC(=C(C=C1C(CN)O)O)O
    InChIKey: SFLSHLFXELFNJZ-QMMMGPOBSA-N
    InChI: InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
  10. 纳多洛尔
    CAS号 : 42200-33-9        Compound CID : 39147
    分子式: C17H27NO4        分子量: 309.4
    IUPAC Name: (2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
    SMILES: CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O
    InChIKey: VWPOSFSPZNDTMJ-UCWKZMIHSA-N
    InChI: InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
  11. 吲哚洛尔
    CAS号 : 13523-86-9        Compound CID : 4828
    分子式: C14H20N2O2        分子量: 248.32
    IUPAC Name: 1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
    SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O
    InChIKey: JZQKKSLKJUAGIC-UHFFFAOYSA-N
    InChI: InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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