酶抑制剂和酶底物

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9 项目

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  1. 辛伐他汀
    CAS号 : 79902-63-9        Compound CID : 54454
    分子式: C25H38O5        分子量: 418.57
    IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
    SMILES: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
    InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N
    InChI: InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
  2. 黄腐酚
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号 : 6754-58-1        Compound CID : 639665
    分子式: C21H22O5        分子量: 354.4
    IUPAC Name: (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
    SMILES: CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C
    InChIKey: ORXQGKIUCDPEAJ-YRNVUSSQSA-N
    InChI: InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
  3. 钙调神经磷酸酶底物
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号 : 113873-67-9        Compound CID : 16198110
    分子式: C92H150N28O29        分子量: 2112.35
    IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]pentanedioic acid
    SMILES: CCC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)N
    InChIKey: CNNRZOUCQVLOST-RBHZDPOXSA-N
    InChI: InChI=1S/C92H150N28O29/c1-13-47(10)71(118-84(143)62-28-21-35-120(62)87(146)70(46(8)9)117-81(140)59(40-67(129)130)113-78(137)56(36-43(2)3)110-74(133)51(93)38-65(125)126)88(147)119-34-20-27-61(119)83(142)103-41-63(122)106-52(24-17-31-100-90(94)95)75(134)111-57(37-50-22-15-14-16-23-50)79(138)112-58(39-66(127)128)80(139)108-53(25-18-32-101-91(96)97)76(135)107-54(26-19-33-102-92(98)99)77(136)115-69(45(6)7)86(145)114-60(42-121)82(141)116-68(44(4)5)85(144)105-48(11)72(131)104-49(12)73(132)109-55(89(148)149)29-30-64(123)124/h14-16,22-23,43-49,51-62,68-71,121H,13,17-21,24-42,93H2,1-12H3,(H,103,142)(H,104,131)(H,105,144)(H,106,122)(H,107,135)(H,108,139)(H,109,132)(H,110,133)(H,111,134)(H,112,138)(H,113,137)(H,114,145)(H,115,136)(H,116,141)(H,117,140)(H,118,143)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,148,149)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t47-,48-,49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,68-,69-,70-,71-/m0/s1
  4. 洛索洛芬
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号 : 68767-14-6        Compound CID : 3965
    分子式: C15H18O3        分子量: 246.31
    IUPAC Name: 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
    SMILES: CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)O
    InChIKey: YMBXTVYHTMGZDW-UHFFFAOYSA-N
    InChI: InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
  5. 奥利司他
    CAS号 : 96829-58-2        Compound CID : 3034010
    分子式: C29H53NO5        分子量: 495.75
    IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate
    SMILES: CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O
    InChIKey: AHLBNYSZXLDEJQ-FWEHEUNISA-N
    InChI: InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
  6. 斯普利特麻一辛
    CAS号 : 5690-03-9        Compound CID : 5269
    分子式: C13H10O2        分子量: 198.22
    IUPAC Name: 1,2-dihydrobenzo[f]chromen-3-one
    SMILES: C1CC(=O)OC2=C1C3=CC=CC=C3C=C2
    InChIKey: ISFPDBUKMJDAJH-UHFFFAOYSA-N
    InChI: InChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2
  7. AM 114,20S蛋白酶体抑制剂
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号 : 856849-35-9        Compound CID : 11639443
    分子式: C20H21B2NO5        分子量: 377.01
    IUPAC Name: [4-[(E)-[(5E)-5-[(4-boronophenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]phenyl]boronic acid
    SMILES: B(C1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)B(O)O)C2=O)C)(O)O
    InChIKey: SRPIKXGUPAKTIZ-OTYYAQKOSA-N
    InChI: InChI=1S/C20H21B2NO5/c1-23-12-16(10-14-2-6-18(7-3-14)21(25)26)20(24)17(13-23)11-15-4-8-19(9-5-15)22(27)28/h2-11,25-28H,12-13H2,1H3/b16-10+,17-11+
  8. Adaptaquin,HIF-脯氨酰羟化酶2(PHD2)抑制剂
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号 : 385786-48-1        Compound CID : 3740671
    分子式: C21H16ClN3O2        分子量: 377.82
    IUPAC Name: 7-[(4-chlorophenyl)-[(3-hydroxypyridin-2-yl)amino]methyl]quinolin-8-ol
    SMILES: C1=CC2=C(C(=C(C=C2)C(C3=CC=C(C=C3)Cl)NC4=C(C=CC=N4)O)O)N=C1
    InChIKey: KKYHNYRUBSYTCZ-UHFFFAOYSA-N
    InChI: InChI=1S/C21H16ClN3O2/c22-15-8-5-14(6-9-15)18(25-21-17(26)4-2-12-24-21)16-10-7-13-3-1-11-23-19(13)20(16)27/h1-12,18,26-27H,(H,24,25)
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