PDI
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杆菌肽分子式: C66H103N17O16S 分子量: 1422.69SMILES: CC[C@@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCCCC[C@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@@H]([C@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
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PACMA 31,不可逆蛋白二硫键异构酶(PDI)抑制剂CAS号 : 1401089-31-3 Compound CID : 66555902分子式: C21H22N2O6S 分子量: 430.47IUPAC Name: ethyl 2-[[2-(2,4-dimethoxy-N-prop-2-ynoylanilino)-2-thiophen-2-ylacetyl]amino]acetateSMILES: CCOC(=O)CNC(=O)C(C1=CC=CS1)N(C2=C(C=C(C=C2)OC)OC)C(=O)C#CInChIKey: AHOOZADJPNUFOQ-UHFFFAOYSA-NInChI: InChI=1S/C21H22N2O6S/c1-5-18(24)23(15-10-9-14(27-3)12-16(15)28-4)20(17-8-7-11-30-17)21(26)22-13-19(25)29-6-2/h1,7-12,20H,6,13H2,2-4H3,(H,22,26)
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P1,蛋白质二硫键异构酶(PDI)抑制剂CAS号 : 1461648-55-4 Compound CID : 91826082分子式: C30H37N3O7S 分子量: 583.7IUPAC Name: [4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-oxo-3-(pent-4-ynylamino)propyl]phenyl] ethenesulfonateSMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)C=C)C(=O)NCCCC#CInChIKey: RNMDSOKRNOMQFX-UIOOFZCWSA-NInChI: InChI=1S/C30H37N3O7S/c1-6-8-12-19-31-27(34)25(21-23-15-17-24(18-16-23)40-41(37,38)7-2)32-28(35)26(20-22-13-10-9-11-14-22)33-29(36)39-30(3,4)5/h1,7,9-11,13-18,25-26H,2,8,12,19-21H2,3-5H3,(H,31,34)(H,32,35)(H,33,36)/t25-,26-/m0/s1
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LOC14,蛋白质二硫键异构酶(PDI)调节剂CAS号 : 877963-94-5 Compound CID : 9117962分子式: C16H19N3O2S 分子量: 317.41IUPAC Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-oneSMILES: C1CC1C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3InChIKey: YVBSNHLFRIVWFQ-UHFFFAOYSA-NInChI: InChI=1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2
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CCF 642,蛋白质二硫键异构酶(PDI)抑制剂CAS号 : 346640-08-2 Compound CID : 1820764分子式: C15H10N2O4S3 分子量: 378.45IUPAC Name: (5E)-3-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-oneSMILES: COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])SC2=SInChIKey: SPYIETQLOVDJCF-XYOKQWHBSA-NInChI: InChI=1S/C15H10N2O4S3/c1-21-10-4-2-9(3-5-10)16-14(18)12(24-15(16)22)8-11-6-7-13(23-11)17(19)20/h2-8H,1H3/b12-8+
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3-甲基毒黄素CAS号 : 32502-62-8 Compound CID : 460747分子式: C8H9N5O2 分子量: 207.19IUPAC Name: 1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dioneSMILES: CC1=NN(C2=NC(=O)N(C(=O)C2=N1)C)CInChIKey: CPXHNWKHOFNPDO-UHFFFAOYSA-NInChI: InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
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ML359CAS号 : 1069858-99-6 Compound CID : 146018836分子式: C23H28ClNO4 分子量: 417.93IUPAC Name: N-ethyl-N-(7-methoxy-1-methylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamideSMILES: CCN(C1=NN(C2=C1C=C3C=CC(=CC3=N2)OC)C)C(=O)C4=CC=CO4InChIKey: GKJQVQCIPPIODP-UHFFFAOYSA-NInChI: InChI=1S/C19H18N4O3/c1-4-23(19(24)16-6-5-9-26-16)18-14-10-12-7-8-13(25-3)11-15(12)20-17(14)22(2)21-18/h5-11H,4H2,1-3H3
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G6PDi-1CAS号 : 2457232-14-1 Compound CID : 145998284分子式: C14H12N4OS 分子量: 284.34IUPAC Name: 4-[(5-oxo-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-2-yl)amino]thiophene-2-carbonitrileSMILES: C1CCC(=O)C2=CN=C(N=C2C1)NC3=CSC(=C3)C#NInChIKey: USWCHVCZOGGQQA-UHFFFAOYSA-NInChI: InChI=1S/C14H12N4OS/c15-6-10-5-9(8-20-10)17-14-16-7-11-12(18-14)3-1-2-4-13(11)19/h5,7-8H,1-4H2,(H,16,17,18)
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杆菌肽分子式: C66H103N17O16S 分子量: 1422.69SMILES: CC[C@@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCCCC[C@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@@H]([C@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
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CCF 642CAS号 : 346640-08-2 Compound CID : 1820764分子式: C15H10N2O4S3 分子量: 378.45IUPAC Name: (5E)-3-(4-methoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-oneSMILES: COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])SC2=SInChIKey: SPYIETQLOVDJCF-XYOKQWHBSA-NInChI: InChI=1S/C15H10N2O4S3/c1-21-10-4-2-9(3-5-10)16-14(18)12(24-15(16)22)8-11-6-7-13(23-11)17(19)20/h2-8H,1H3/b12-8+
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LOC14CAS号 : 877963-94-5 Compound CID : 9117962分子式: C16H19N3O2S 分子量: 317.41IUPAC Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-oneSMILES: C1CC1C(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4S3InChIKey: YVBSNHLFRIVWFQ-UHFFFAOYSA-NInChI: InChI=1S/C16H19N3O2S/c20-15(12-5-6-12)18-9-7-17(8-10-18)11-19-16(21)13-3-1-2-4-14(13)22-19/h1-4,12H,5-11H2
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杆菌肽分子式: C66H103N17O16S 分子量: 1422.69SMILES: CC[C@@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCCCC[C@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@@H]([C@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4