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酶抑制剂和酶底物
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3-氨基-9-乙基咔唑CAS号: 132-32-1分子式: C14H14N2 分子量: 210.28IUPAC Name: 9-ethylcarbazol-3-amineSMILES: CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31InChIKey: OXEUETBFKVCRNP-UHFFFAOYSA-NInChI: 1S/C14H14N2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15)7-8-14(12)16/h3-9H,2,15H2,1H3
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2,5-二羟基肉桂酸甲酯CAS号: 63177-57-1分子式: C10H10O4 分子量: 194.18IUPAC Name: methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoateSMILES: COC(=O)C=CC1=C(C=CC(=C1)O)OInChIKey: BQCNSTFWSKOWMA-GORDUTHDSA-NInChI: 1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+
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串珠镰刀菌素钠盐CAS号: 71376-34-6分子式: C4HNaO3 • xH2O 分子量: 120.04 + x(18.02)IUPAC Name: sodium;3,4-dioxocyclobuten-1-olateSMILES: C1=C(C(=O)C1=O)[O-].[Na+]InChIKey: FERDNJVXTWPNSA-UHFFFAOYSA-MInChI: 1S/C4H2O3.Na/c5-2-1-3(6)4(2)7;/h1,5H;/q;+1/p-1
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HDAC3-抑制剂-T247CAS号: 1451042-18-4分子式: C21H19N5OS 分子量: 389.48IUPAC Name: N-(2-aminophenyl)-4-[1-(2-thiophen-3-ylethyl)triazol-4-yl]benzamideSMILES: C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)C3=CN(N=N3)CCC4=CSC=C4InChIKey: LBLSLSOENGWIHL-UHFFFAOYSA-NInChI: 1S/C21H19N5OS/c22-18-3-1-2-4-19(18)23-21(27)17-7-5-16(6-8-17)20-13-26(25-24-20)11-9-15-10-12-28-14-15/h1-8,10,12-14H,9,11,22H2,(H,23,27)
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6-甲基-2-吡啶基-2-乙酰氨基-2-脱氧-b-D-巯基吡喃糖苷CAS号: 149263-94-5 Compound CID : 15788430分子式: C14H20N2O5S 分子量: 328.38IUPAC Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(6-methylpyridin-2-yl)sulfanyloxan-3-yl]acetamideSMILES: CC1=NC(=CC=C1)SC2C(C(C(C(O2)CO)O)O)NC(=O)CInChIKey: XUKXHOMZOIYNLR-FZGMBXNASA-NInChI: 1S/C14H20N2O5S/c1-7-4-3-5-10(15-7)22-14-11(16-8(2)18)13(20)12(19)9(6-17)21-14/h3-5,9,11-14,17,19-20H,6H2,1-2H3,(H,16,18)/t9-,11-,12-,13-,14+/m1/s1
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BML-267,蛋白酪氨酸磷酸酶1B（PTP1B）抑制剂分子式: C11H12N2O5S•C2HF3O2 分子量: 398.31
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组织蛋白酶G底物CAS号: 70967-91-8 Compound CID : 4549509分子式: C27H38N6O9S 分子量: 622.69IUPAC Name: methyl 4-[[1-[[1-[2-[[4-methylsulfanyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoateSMILES: CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCC(=O)OCInChIKey: LUUQUDLEABXXQL-UHFFFAOYSA-NInChI: See more
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TC KHNS 11,PI 3-激酶δ抑制剂CAS号: 1431540-99-6 Compound CID : 86732669分子式: C28H24N6O3 分子量: 492.53IUPAC Name: 5-[4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl]-2-methoxypyridine-3-carbonitrileSMILES: CC(=O)N1CCN(CC1)C(=O)C2=CC=CC(=C2)C3=NC=NC4=C3C=C(C=C4)C5=CC(=C(N=C5)OC)C#NInChIKey: QYTXJLQBSYAMGR-UHFFFAOYSA-NInChI: 1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,8-11H2,1-2H3
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NNMTi，烟酰胺N-甲基转移酶抑制剂CAS号: 42464-96-0 Compound CID : 66522933分子式: C10H11IN2 分子量: 286.11IUPAC Name: 1-methylquinolin-1-ium-5-amine;iodideSMILES: C[N+]1=CC=CC2=C(C=CC=C21)N.[I-]InChIKey: JPEZFBFIRRAFNR-UHFFFAOYSA-NInChI: 1S/C10H10N2.HI/c1-12-7-3-4-8-9(11)5-2-6-10(8)12;/h2-7,11H,1H3;1H
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GGsTop,γ-谷氨酰转肽酶（GGT）抑制剂CAS号: 926281-37-0分子式: C13H18NO7P 分子量: 331.26IUPAC Name: 2-amino-4-[[3-(carboxymethyl)phenoxy]-methoxyphosphoryl]butanoic acidSMILES: COP(=O)(CCC(C(=O)O)N)OC1=CC=CC(=C1)CC(=O)OInChIKey: NTFPDEDRMYYPAC-UHFFFAOYSA-NInChI: 1S/C13H18NO7P/c1-20-22(19,6-5-11(14)13(17)18)21-10-4-2-3-9(7-10)8-12(15)16/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16)(H,17,18)
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睾丸内酯分子式: C19H26O3 分子量: 302.41IUPAC Name: (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydro-3H-naphtho[2,1-f]chromene-2,8-dioneSMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2InChIKey: CNIXJDVUMXTEKX-DZBHQSCQSA-NInChI: 1S/C19H26O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h11,14-16H,3-10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1
