酶抑制剂和酶底物

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  1. 培利替尼
    CAS号 : 257933-82-7        Compound CID : 6445562
    分子式: C24H23ClFN5O2        分子量: 467.92
    IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
    SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)C=CCN(C)C
    InChIKey: WVUNYSQLFKLYNI-AATRIKPKSA-N
    InChI: InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
  2. SB-203580,p38 MAPK抑制剂
    CAS号 : 152121-47-6        Compound CID : 176155
    分子式: C21H16FN3OS        分子量: 377.43
    IUPAC Name: 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
    SMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F
    InChIKey: CDMGBJANTYXAIV-UHFFFAOYSA-N
    InChI: InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
  3. 吉非替尼 (ZD1839)
    CAS号 : 184475-35-2        Compound CID : 123631
    分子式: C22H24ClFN4O3        分子量: 446.9
    IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
    SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
    InChIKey: XGALLCVXEZPNRQ-UHFFFAOYSA-N
    InChI: InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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