![AUJ AUJ](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/AUJ.svg) | AUJ | Name: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate | Formula: | C14 H23 N4 O10 P2 S | SMILES: | Cc1ncc(Cn2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](C)(O)OO)c(N)n1 | InChi: | InChI=1S/C14H23N4O10P2S/c1-8-11(4-5-26-30(24,25)28-29(21,22)23)31-13(14(3,19)27-20)18(8)7-10-6-16-9(2)17-12(10)15/h6,19-20H,4-5,7H2,1-3H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)/t14-/m0/s1 | Definition date: | 2017-07-26 | Last modified: | 2022-05-19 | Release date: | 2018-02-14 | Identifier: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1S)-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate |
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![E9B E9B](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/E9B.svg) | E9B | Name: | S-[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate | Formula: | C15 H9 N3 O4 S2 | SMILES: | [O-][N+](=O)c1sc(cc1)C(=O)Sc2oc(C=Cc3ccccc3)nn2 | InChi: | InChI=1S/C15H9N3O4S2/c19-14(11-7-9-13(23-11)18(20)21)24-15-17-16-12(22-15)8-6-10-4-2-1-3-5-10/h1-9H/b8-6+ | Definition date: | 2022-04-19 | Last modified: | 2022-04-22 | Release date: | 2022-04-27 | Identifier: | ~{S}-[5-[(~{E})-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate |
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![V7K V7K](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/V7K.svg) | V7K | Name: | (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid | Formula: | C16 H18 N6 O9 S | SMILES: | N[CH](CCC(=O)N[CH](CSc1ccc(c2nonc12)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O | InChi: | InChI=1S/C16H18N6O9S/c17-7(16(27)28)1-4-11(23)19-8(15(26)18-5-12(24)25)6-32-10-3-2-9(22(29)30)13-14(10)21-31-20-13/h2-3,7-8H,1,4-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/t7-,8-/m0/s1 | Definition date: | 2021-04-23 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
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![YK2 YK2](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/YK2.svg) | YK2 | Name: | [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone | Formula: | C25 H27 F N8 O S | SMILES: | CCN1CCN(CC1)C(=O)c2ccc(Nc3ncc(F)c(n3)c4ccc5nc(sc5c4)N(C)C)nc2 | InChi: | InChI=1S/C25H27FN8OS/c1-4-33-9-11-34(12-10-33)23(35)17-6-8-21(27-14-17)30-24-28-15-18(26)22(31-24)16-5-7-19-20(13-16)36-25(29-19)32(2)3/h5-8,13-15H,4,9-12H2,1-3H3,(H,27,28,30,31) | Definition date: | 2021-04-12 | Last modified: | 2022-04-01 | Release date: | 2022-04-06 | Identifier: | [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone |
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![C79 C79](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/C79.svg) | C79 | Name: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide | Formula: | C23 H23 F3 N6 O S | SMILES: | FC(F)(F)c1ccc(cc1)C(Sc1nc(c(C#N)c(CC)c1C#N)N1CCC(N)CC1)C(N)=O | InChi: | InChI=1S/C23H23F3N6OS/c1-2-16-17(11-27)21(32-9-7-15(29)8-10-32)31-22(18(16)12-28)34-19(20(30)33)13-3-5-14(6-4-13)23(24,25)26/h3-6,15,19H,2,7-10,29H2,1H3,(H2,30,33)/t19-/m1/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide |
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![IO5 IO5](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/IO5.svg) | IO5 | Name: | (2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide | Formula: | C24 H28 N6 O2 S | SMILES: | NC(=O)C(Sc1nc(N2CCCN(CCO)CC2)c(C#N)c(CC)c1C#N)c1ccccc1 | InChi: | InChI=1S/C24H28N6O2S/c1-2-18-19(15-25)23(30-10-6-9-29(11-12-30)13-14-31)28-24(20(18)16-26)33-21(22(27)32)17-7-4-3-5-8-17/h3-5,7-8,21,31H,2,6,9-14H2,1H3,(H2,27,32)/t21-/m0/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-03-25 | Release date: | 2022-03-30 | Identifier: | (2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide |
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![4VZ 4VZ](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/4VZ.svg) | 4VZ | Name: | (5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | Formula: | C12 H11 N O3 S2 | SMILES: | CCOc1cc(ccc1O)C=C2SC(=S)NC2=O | InChi: | InChI=1S/C12H11NO3S2/c1-2-16-9-5-7(3-4-8(9)14)6-10-11(15)13-12(17)18-10/h3-6,14H,2H2,1H3,(H,13,15,17)/b10-6- | Definition date: | 2021-08-06 | Last modified: | 2022-03-18 | Release date: | 2022-03-23 | Identifier: | (5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
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![4WD 4WD](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/4WD.svg) | 4WD | Name: | (5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | Formula: | C13 H9 N O2 S2 | SMILES: | COc1ccc(C=C2SC(=S)NC2=O)cc1C#C | InChi: | InChI=1S/C13H9NO2S2/c1-3-9-6-8(4-5-10(9)16-2)7-11-12(15)14-13(17)18-11/h1,4-7H,2H3,(H,14,15,17)/b11-7- | Definition date: | 2021-08-06 | Last modified: | 2022-03-18 | Release date: | 2022-03-23 | Identifier: | (5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
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![Z07 Z07](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/Z07.svg) | Z07 | Name: | 4-(trifluoromethyl)-1,3-benzothiazol-2-amine | Formula: | C8 H5 F3 N2 S | SMILES: | FC(F)(F)c1cccc2sc(N)nc12 | InChi: | InChI=1S/C8H5F3N2S/c9-8(10,11)4-2-1-3-5-6(4)13-7(12)14-5/h1-3H,(H2,12,13) | Definition date: | 2021-04-07 | Last modified: | 2022-03-11 | Release date: | 2022-03-16 | Identifier: | 4-(trifluoromethyl)-1,3-benzothiazol-2-amine |
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![G77 G77](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/G77.svg) | G77 | Name: | (1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate | Formula: | C33 H40 F2 N4 O7 S2 | SMILES: | Fc1cc(cc(F)c1)CC(NC(=O)OC1CC2CC3C(O2)OCC31)C(O)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1 | InChi: | InChI=1S/C33H40F2N4O7S2/c1-17(2)14-39(48(42,43)23-5-6-26-30(13-23)47-32(37-26)36-21-3-4-21)15-28(40)27(9-18-7-19(34)10-20(35)8-18)38-33(41)46-29-12-22-11-24-25(29)16-44-31(24)45-22/h5-8,10,13,17,21-22,24-25,27-29,31,40H,3-4,9,11-12,14-16H2,1-2H3,(H,36,37)(H,38,41)/t22-,24+,25+,27+,28-,29-,31+/m1/s1 | Definition date: | 2022-01-24 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | (1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate |
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![G8R G8R](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/G8R.svg) | G8R | Name: | (1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | Formula: | C33 H42 N4 O7 S2 | SMILES: | O=C(OC1CC2CC3C(O2)OCC31)NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC3CC3)sc2c1 | InChi: | InChI=1S/C33H42N4O7S2/c1-19(2)16-37(46(40,41)23-10-11-26-30(15-23)45-32(35-26)34-21-8-9-21)17-28(38)27(12-20-6-4-3-5-7-20)36-33(39)44-29-14-22-13-24-25(29)18-42-31(24)43-22/h3-7,10-11,15,19,21-22,24-25,27-29,31,38H,8-9,12-14,16-18H2,1-2H3,(H,34,35)(H,36,39)/t22-,24+,25+,27-,28+,29-,31+/m0/s1 | Definition date: | 2022-01-24 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | (1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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![TZ8 TZ8](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/TZ8.svg) | TZ8 | Name: | (2~{R})-2-azanyl-5-[[(2~{R})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid | Formula: | C17 H30 N4 O6 S2 | SMILES: | CCCCCCNC(=S)SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O | InChi: | InChI=1S/C17H30N4O6S2/c1-2-3-4-5-8-19-17(28)29-10-12(15(25)20-9-14(23)24)21-13(22)7-6-11(18)16(26)27/h11-12H,2-10,18H2,1H3,(H,19,28)(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t11-,12+/m1/s1 | Definition date: | 2021-01-14 | Last modified: | 2022-02-25 | Release date: | 2022-03-02 | Identifier: | (2~{R})-2-azanyl-5-[[(2~{R})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
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![GMI GMI](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/GMI.svg) | GMI | Name: | [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid | Formula: | C13 H21 N4 O6 P2 S | SMILES: | O=P(O)(O)CP(=O)(O)OCCc1sc[n+](Cc2cnc(C)nc2N)c1C | InChi: | InChI=1S/C13H20N4O6P2S/c1-9-12(3-4-23-25(21,22)8-24(18,19)20)26-7-17(9)6-11-5-15-10(2)16-13(11)14/h5,7H,3-4,6,8H2,1-2H3,(H4-,14,15,16,18,19,20,21,22)/p+1 | Definition date: | 2022-01-03 | Last modified: | 2022-02-11 | Release date: | 2022-02-16 | Identifier: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonomethyl)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium |
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![TDP TDP](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/TDP.svg) | TDP | Name: | THIAMIN DIPHOSPHATE | Formula: | C12 H18 N4 O7 P2 S | SMILES: | Cc1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)([O-])=O)c2C)c(N)n1 | InChi: | InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21) | Definition date: | 1999-07-08 | Last modified: | 2022-02-08 | Identifier: | [2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] hydrogen phosphate |
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![HQF HQF](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/HQF.svg) | HQF | Name: | 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid | Formula: | C12 H10 N4 O2 S | SMILES: | Nc1sc2cc(Cn3ccnc3C(O)=O)ccc2n1 | InChi: | InChI=1S/C12H10N4O2S/c13-12-15-8-2-1-7(5-9(8)19-12)6-16-4-3-14-10(16)11(17)18/h1-5H,6H2,(H2,13,15)(H,17,18) | Definition date: | 2021-01-27 | Last modified: | 2022-01-21 | Release date: | 2022-01-26 | Identifier: | 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid |
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![EIO EIO](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/EIO.svg) | EIO | Name: | (3R)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine | Formula: | C13 H20 N5 O2 S2 | SMILES: | NS(N)(O)C1(CC1)c1cc(nc(SC)n1)N1CCOCC1C | InChi: | InChI=1S/C13H20N5O2S2/c1-9-8-20-6-5-18(9)11-7-10(16-12(17-11)21-2)13(3-4-13)22(14,15)19/h7,9,14-15H,3-6,8H2,1-2H3/q+1/t9-/m1/s1 | Definition date: | 2021-12-07 | Last modified: | 2022-01-14 | Release date: | 2022-01-19 | Identifier: | (3R)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine |
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![XCJ XCJ](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/XCJ.svg) | XCJ | Name: | N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide | Formula: | C17 H14 N4 O3 S3 | SMILES: | CS(c1ccc2c(c1)sc(n2)NC(Cc3csc(n3)n4cccc4)=O)(=O)=O | InChi: | InChI=1S/C17H14N4O3S3/c1-27(23,24)12-4-5-13-14(9-12)26-16(19-13)20-15(22)8-11-10-25-17(18-11)21-6-2-3-7-21/h2-7,9-10H,8H2,1H3,(H,19,20,22) | Definition date: | 2020-12-11 | Last modified: | 2021-12-17 | Release date: | 2021-12-22 | Identifier: | N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide |
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![H96 H96](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/H96.svg) | H96 | Name: | [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | Formula: | C21 H24 N2 O3 S | SMILES: | COc1ccc2nc3c(CO)cc(OC)cc3c(SC[CH]4CCNC4)c2c1 | InChi: | InChI=1S/C21H24N2O3S/c1-25-15-3-4-19-17(8-15)21(27-12-13-5-6-22-10-13)18-9-16(26-2)7-14(11-24)20(18)23-19/h3-4,7-9,13,22,24H,5-6,10-12H2,1-2H3/t13-/m1/s1 | Definition date: | 2020-12-01 | Last modified: | 2021-11-26 | Release date: | 2021-12-01 | Identifier: | [2,7-dimethoxy-9-[[(3~{R})-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol |
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![H80 H80](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/H80.svg) | H80 | Name: | [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | Formula: | C21 H24 N2 O3 S | SMILES: | COc1ccc2nc3c(CO)cc(OC)cc3c(SC[CH]4CCNC4)c2c1 | InChi: | InChI=1S/C21H24N2O3S/c1-25-15-3-4-19-17(8-15)21(27-12-13-5-6-22-10-13)18-9-16(26-2)7-14(11-24)20(18)23-19/h3-4,7-9,13,22,24H,5-6,10-12H2,1-2H3/t13-/m0/s1 | Definition date: | 2020-11-24 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | [2,7-dimethoxy-9-[[(3~{S})-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol |
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![YA3 YA3](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/YA3.svg) | YA3 | Name: | 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide | Formula: | C41 H41 Cl N12 O6 S | SMILES: | Cc8c(C)c7C(c1ccc(Cl)cc1)=NC(CC(=O)NCc5cn(CCCCNC(CNc2cccc3c2C(N(C3=O)C4C(NC(CC4)=O)=O)=O)=O)nn5)c6nnc(n6c7s8)C | InChi: | InChI=1S/C41H41ClN12O6S/c1-21-22(2)61-41-34(21)36(24-9-11-25(42)12-10-24)46-29(37-50-48-23(3)53(37)41)17-32(56)45-18-26-20-52(51-49-26)16-5-4-15-43-33(57)19-44-28-8-6-7-27-35(28)40(60)54(39(27)59)30-13-14-31(55)47-38(30)58/h6-12,20,29-30,44H,4-5,13-19H2,1-3H3,(H,43,57)(H,45,56)(H,47,55,58)/t29-,30?/m0/s1 | Definition date: | 2020-05-11 | Last modified: | 2021-11-12 | Release date: | 2021-11-17 | Identifier: | N-(4-{4-[({[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetyl}amino)methyl]-1H-1,2,3-triazol-1-yl}butyl)-N~2~-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]glycinamide |
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![H7R H7R](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/H7R.svg) | H7R | Name: | 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline | Formula: | C18 H21 N3 O S3 | SMILES: | COc1ccc2nc3sc(SC)nc3c(SCC4CCNCC4)c2c1 | InChi: | InChI=1S/C18H21N3OS3/c1-22-12-3-4-14-13(9-12)16(24-10-11-5-7-19-8-6-11)15-17(20-14)25-18(21-15)23-2/h3-4,9,11,19H,5-8,10H2,1-2H3 | Definition date: | 2020-11-24 | Last modified: | 2021-11-12 | Release date: | 2021-11-17 | Identifier: | 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline |
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![5I4 5I4](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/5I4.svg) | 5I4 | Name: | ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide | Formula: | C23 H19 F3 N6 O3 S2 | SMILES: | Nc1nccc(n1)c2sc(nc2c3cccc(N[S](=O)(=O)c4cc(F)ccc4F)c3F)[CH]5COCCN5 | InChi: | InChI=1S/C23H19F3N6O3S2/c24-12-4-5-14(25)18(10-12)37(33,34)32-15-3-1-2-13(19(15)26)20-21(16-6-7-29-23(27)30-16)36-22(31-20)17-11-35-9-8-28-17/h1-7,10,17,28,32H,8-9,11H2,(H2,27,29,30)/t17-/m0/s1 | Definition date: | 2021-07-09 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide |
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![VB8 VB8](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/VB8.svg) | VB8 | Name: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide | Formula: | C33 H44 N6 O2 S | SMILES: | CSc1cc(CN2CCC(C)(C)CC2)ccc1C(=O)NC[C]3(O)CCCN(C3)c4cc(NCc5ccccc5)ncn4 | InChi: | InChI=1S/C33H44N6O2S/c1-32(2)13-16-38(17-14-32)21-26-10-11-27(28(18-26)42-3)31(40)35-22-33(41)12-7-15-39(23-33)30-19-29(36-24-37-30)34-20-25-8-5-4-6-9-25/h4-6,8-11,18-19,24,41H,7,12-17,20-23H2,1-3H3,(H,35,40)(H,34,36,37)/t33-/m1/s1 | Definition date: | 2021-05-04 | Last modified: | 2021-10-15 | Release date: | 2021-10-20 | Identifier: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methylsulfanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide |
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![6IF 6IF](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/6IF.svg) | 6IF | Name: | methyl 7-chloro-6,7,8-trideoxy-6-{[(4S,5aS,8S,8aR)-4-(2-methylpropyl)octahydro-2H-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-L-threo-alpha-D-galacto-octopyranoside | Formula: | C22 H39 Cl N2 O6 S | SMILES: | OC1C(O)C(O)C(OC1SC)C(NC(=O)C1NCC2CC(CC(C)C)CCOC21)C(C)Cl | InChi: | InChI=1S/C22H39ClN2O6S/c1-10(2)7-12-5-6-30-19-13(8-12)9-24-15(19)21(29)25-14(11(3)23)20-17(27)16(26)18(28)22(31-20)32-4/h10-20,22,24,26-28H,5-9H2,1-4H3,(H,25,29)/t11-,12-,13-,14+,15-,16-,17+,18+,19+,20+,22+/m0/s1 | Definition date: | 2021-08-06 | Last modified: | 2021-10-08 | Release date: | 2021-10-13 | Identifier: | methyl 7-chloro-6,7,8-trideoxy-6-{[(4S,5aS,8S,8aR)-4-(2-methylpropyl)octahydro-2H-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-L-threo-alpha-D-galacto-octopyranoside |
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![55Z 55Z](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/55Z.svg) | 55Z | Name: | 5-azanyl-N-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide | Formula: | C24 H30 N6 O3 S2 | SMILES: | CSc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(n1)c3cccc(NC(=O)CN4CCOCC4)c3 | InChi: | InChI=1S/C24H30N6O3S2/c1-24(2,3)29-21(32)20-18(25)17-19(27-23(34-4)28-22(17)35-20)14-6-5-7-15(12-14)26-16(31)13-30-8-10-33-11-9-30/h5-7,12H,8-11,13,25H2,1-4H3,(H,26,31)(H,29,32) | Definition date: | 2021-08-19 | Last modified: | 2021-09-24 | Release date: | 2021-09-29 | Identifier: | 5-azanyl-~{N}-~{tert}-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide |
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