![TJC TJC](https://data.pdbj.org/pdbjplus/data/cc/svg/TJC.svg) | TJC | 表記: | {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid | 組成式: | C31 H33 Cl N2 O4 | SMILES: | CC(C)(C)c1ccc(cc1)CNC(=O)c1cc2c(cc1)n(Cc1ccc(Cl)c(OCC(=O)O)c1)c(C)c2C | InChi: | InChI=1S/C31H33ClN2O4/c1-19-20(2)34(17-22-8-12-26(32)28(14-22)38-18-29(35)36)27-13-9-23(15-25(19)27)30(37)33-16-21-6-10-24(11-7-21)31(3,4)5/h6-15H,16-18H2,1-5H3,(H,33,37)(H,35,36) | 定義日: | 2022-07-25 | 最終更新日: | 2022-09-02 | 公開日: | 2022-09-07 | 識別子(ID): | {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid |
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![URR URR](https://data.pdbj.org/pdbjplus/data/cc/svg/URR.svg) | URR | 表記: | N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide | 組成式: | C24 H37 N3 O9 S2 | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C24H37N3O9S2/c1-15(2)12-18(27-23(31)36-14-24(3,4)37(32)17-8-6-5-7-9-17)21(29)26-19(22(30)38(33,34)35)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t16-,18-,19-,22-,37?/m0/s1 | 定義日: | 2022-08-23 | 最終更新日: | 2022-09-02 | 公開日: | 2022-09-07 | 識別子(ID): | (1S,2S)-2-[(N-{[2-(benzenesulfinyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![UTL UTL](https://data.pdbj.org/pdbjplus/data/cc/svg/UTL.svg) | UTL | 表記: | (1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C24 H36 F N3 O8 S2 | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Sc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C24H36FN3O8S2/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1 | 定義日: | 2022-08-25 | 最終更新日: | 2022-09-02 | 公開日: | 2022-09-07 | 識別子(ID): | (1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![UTU UTU](https://data.pdbj.org/pdbjplus/data/cc/svg/UTU.svg) | UTU | 表記: | [2-(3-fluorophenyl)sulfanyl-2-methyl-propyl] ~{N}-[(2~{S})-1-[[3-[(3~{S})-2-$l^{3}-oxidanylidenepyrrolidin-3-yl]-1-$l^{1}-oxidanylsulfonyl-1-oxidanyl-propan-2-yl]-$l^{2}-azanyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | 組成式: | C24 H36 F N3 O8 S2 | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Sc1cccc(F)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C24H36FN3O8S2/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1 | 定義日: | 2022-08-25 | 最終更新日: | 2022-09-02 | 公開日: | 2022-09-07 | 識別子(ID): | (1R,2S)-2-{[N-({2-[(3-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![UUR UUR](https://data.pdbj.org/pdbjplus/data/cc/svg/UUR.svg) | UUR | 表記: | 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | 組成式: | C22 H33 N3 O8 S2 | SMILES: | CC(C)CC(NC(=O)OCCSc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C22H33N3O8S2/c1-14(2)12-17(25-22(29)33-10-11-34-16-6-4-3-5-7-16)20(27)24-18(21(28)35(30,31)32)13-15-8-9-23-19(15)26/h3-7,14-15,17-18,21,28H,8-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t15-,17-,18-,21-/m0/s1 | 定義日: | 2022-08-26 | 最終更新日: | 2022-09-02 | 公開日: | 2022-09-07 | 識別子(ID): | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid |
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![UV2 UV2](https://data.pdbj.org/pdbjplus/data/cc/svg/UV2.svg) | UV2 | 表記: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid | 組成式: | C22 H33 N3 O8 S2 | SMILES: | CC(C)CC(NC(=O)OCCSc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C22H33N3O8S2/c1-14(2)12-17(25-22(29)33-10-11-34-16-6-4-3-5-7-16)20(27)24-18(21(28)35(30,31)32)13-15-8-9-23-19(15)26/h3-7,14-15,17-18,21,28H,8-13H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t15-,17-,18-,21+/m0/s1 | 定義日: | 2022-08-26 | 最終更新日: | 2022-09-02 | 公開日: | 2022-09-07 | 識別子(ID): | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid |
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![UY0 UY0](https://data.pdbj.org/pdbjplus/data/cc/svg/UY0.svg) | UY0 | 表記: | N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide | 組成式: | C27 H35 Cl N6 O3 S | SMILES: | CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(OCCN2CCCC2)cc1 | InChi: | InChI=1S/C27H35ClN6O3S/c1-19-18-29-26(31-20-7-10-22(11-8-20)37-16-15-34-13-5-6-14-34)32-25(19)30-21-9-12-23(28)24(17-21)33-38(35,36)27(2,3)4/h7-12,17-18,33H,5-6,13-16H2,1-4H3,(H2,29,30,31,32) | 定義日: | 2022-08-29 | 最終更新日: | 2022-09-02 | 公開日: | 2022-09-07 | 識別子(ID): | N-{2-chloro-5-[(5-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide |
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![IVN IVN](https://data.pdbj.org/pdbjplus/data/cc/svg/IVN.svg) | IVN | 表記: | (2~{R})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid | 組成式: | C25 H22 Cl F3 N6 O3 | SMILES: | Cc1ccn(n1)c2cc(Cl)ccc2[CH](Oc3cc(nc(N)n3)c4ccc(C[CH](N)C(O)=O)cc4)C(F)(F)F | InChi: | InChI=1S/C25H22ClF3N6O3/c1-13-8-9-35(34-13)20-11-16(26)6-7-17(20)22(25(27,28)29)38-21-12-19(32-24(31)33-21)15-4-2-14(3-5-15)10-18(30)23(36)37/h2-9,11-12,18,22H,10,30H2,1H3,(H,36,37)(H2,31,32,33)/t18-,22-/m1/s1 | 定義日: | 2022-04-14 | 最終更新日: | 2022-09-02 | 公開日: | 2022-09-07 | 識別子(ID): | (2~{R})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid |
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![IVQ IVQ](https://data.pdbj.org/pdbjplus/data/cc/svg/IVQ.svg) | IVQ | 表記: | 8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione | 組成式: | C24 H22 N6 O4 | SMILES: | CCCN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4[nH]c5cc6OCOc6cc5n4)nc12 | InChi: | InChI=1S/C24H22N6O4/c1-2-8-29-22-21(23(31)28-24(29)32)30(12-14-6-4-3-5-7-14)20(27-22)11-19-25-15-9-17-18(34-13-33-17)10-16(15)26-19/h3-7,9-10H,2,8,11-13H2,1H3,(H,25,26)(H,28,31,32) | 定義日: | 2022-04-14 | 最終更新日: | 2022-09-02 | 公開日: | 2022-09-07 | 識別子(ID): | 8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione |
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![IVW IVW](https://data.pdbj.org/pdbjplus/data/cc/svg/IVW.svg) | IVW | 表記: | 8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione | 組成式: | C23 H20 N6 O2 | SMILES: | O=C1NC(=O)c2n(Cc3ccccc3)c(Cc4[nH]c5ccccc5n4)nc2N1C6CC6 | InChi: | InChI=1S/C23H20N6O2/c30-22-20-21(29(15-10-11-15)23(31)27-22)26-19(28(20)13-14-6-2-1-3-7-14)12-18-24-16-8-4-5-9-17(16)25-18/h1-9,15H,10-13H2,(H,24,25)(H,27,30,31) | 定義日: | 2022-04-14 | 最終更新日: | 2022-09-02 | 公開日: | 2022-09-07 | 識別子(ID): | 8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione |
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![IVZ IVZ](https://data.pdbj.org/pdbjplus/data/cc/svg/IVZ.svg) | IVZ | 表記: | (2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid | 組成式: | C26 H26 N8 O5 | SMILES: | CN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4[nH]c5ccc(NC(=O)CC[CH](N)C(O)=O)cc5n4)nc12 | InChi: | InChI=1S/C26H26N8O5/c1-33-23-22(24(36)32-26(33)39)34(13-14-5-3-2-4-6-14)20(31-23)12-19-29-17-9-7-15(11-18(17)30-19)28-21(35)10-8-16(27)25(37)38/h2-7,9,11,16H,8,10,12-13,27H2,1H3,(H,28,35)(H,29,30)(H,37,38)(H,32,36,39)/t16-/m1/s1 | 定義日: | 2022-04-14 | 最終更新日: | 2022-09-02 | 公開日: | 2022-09-07 | 識別子(ID): | (2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid |
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![ZJP ZJP](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJP.svg) | ZJP | 表記: | cyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | 組成式: | C38 H50 N6 O9 S | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CCCC3)CCCCCC=CC2C1 | InChi: | InChI=1S/C38H50N6O9S/c1-23-33(40-30-19-26(51-3)15-16-28(30)39-23)52-27-20-31-32(45)42-38(35(47)43-54(49,50)37(2)17-18-37)21-24(38)11-7-5-4-6-8-14-29(34(46)44(31)22-27)41-36(48)53-25-12-9-10-13-25/h7,11,15-16,19,24-25,27,29,31H,4-6,8-10,12-14,17-18,20-22H2,1-3H3,(H,41,48)(H,42,45)(H,43,47)/b11-7-/t24-,27-,29+,31+,38-/m1/s1 | 定義日: | 2021-04-30 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | cyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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![G5F G5F](https://data.pdbj.org/pdbjplus/data/cc/svg/G5F.svg) | G5F | 表記: | [(2~{S},3~{S},4~{R})-4-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-[[(2~{S},3~{R})-2,3-bis(oxidanyl)butoxy]-oxidanyl-phosphoryl]oxy-2,3-bis(oxidanyl)pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate | 組成式: | C23 H47 N O24 P2 | SMILES: | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CO[P](O)(=O)OC[CH](O)[CH](O)C(O)CO)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO | InChi: | InChI=1S/C23H47NO24P2/c1-9(28)24-17-22(38)21(37)15(4-27)47-23(17)48-16(8-46-50(41,42)44-6-13(32)19(35)11(30)3-26)20(36)14(33)7-45-49(39,40)43-5-12(31)18(34)10(29)2-25/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10-,11?,12+,13-,14-,15+,16+,17+,18-,19+,20-,21+,22+,23-/m0/s1 | 定義日: | 2022-01-27 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | [(2~{R},3~{S},4~{S})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate |
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![G6N G6N](https://data.pdbj.org/pdbjplus/data/cc/svg/G6N.svg) | G6N | 表記: | [(2~{S},3~{S},4~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,3-bis(oxidanyl)-5-[oxidanyl-[(2~{R})-2-oxidanylpropoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate | 組成式: | C23 H47 N O24 P2 | SMILES: | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CO[P](O)(=O)OC[CH](O)C(O)C(O)CO)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO | InChi: | InChI=1S/C23H47NO24P2/c1-9(28)24-17-22(38)21(37)15(4-27)47-23(17)48-16(8-46-50(41,42)44-6-13(32)19(35)11(30)3-26)20(36)14(33)7-45-49(39,40)43-5-12(31)18(34)10(29)2-25/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10-,11?,12+,13-,14-,15+,16+,17+,18-,19?,20-,21+,22+,23+/m0/s1 | 定義日: | 2022-01-27 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | [(2~{R},3~{S},4~{S})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate |
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![G7C G7C](https://data.pdbj.org/pdbjplus/data/cc/svg/G7C.svg) | G7C | 表記: | [(2~{S},4~{R})-3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)-5-[oxidanyl-[(2~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate | 組成式: | C23 H47 N O24 P2 | SMILES: | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]([CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)C(O)CO)[CH](O)CO[P](O)(=O)OC[CH](O)C(O)C(O)CO | InChi: | InChI=1S/C23H47NO24P2/c1-9(28)24-17-21(38)20(37)16(4-27)47-23(17)48-22(14(33)7-45-49(39,40)43-5-12(31)18(35)10(29)2-25)15(34)8-46-50(41,42)44-6-13(32)19(36)11(30)3-26/h10-23,25-27,29-38H,2-8H2,1H3,(H,24,28)(H,39,40)(H,41,42)/t10?,11?,12-,13+,14+,15-,16-,17-,18+,19?,20-,21-,22+,23+/m1/s1 | 定義日: | 2022-01-27 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | [(2~{S},4~{R})-3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)-5-[oxidanyl-[(2~{S},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentyl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate |
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![YUA YUA](https://data.pdbj.org/pdbjplus/data/cc/svg/YUA.svg) | YUA | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | 組成式: | C32 H44 N2 O8 S | SMILES: | OC1CCc2cc(ccc21)S(=O)(=O)N(CC(CC)CC)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C32H44N2O8S/c1-3-21(4-2)18-34(43(38,39)24-11-12-25-23(17-24)10-13-28(25)35)19-29(36)27(16-22-8-6-5-7-9-22)33-32(37)42-30-20-41-31-26(30)14-15-40-31/h5-9,11-12,17,21,26-31,35-36H,3-4,10,13-16,18-20H2,1-2H3,(H,33,37)/t26-,27-,28-,29+,30-,31+/m0/s1 | 定義日: | 2021-03-31 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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![YUD YUD](https://data.pdbj.org/pdbjplus/data/cc/svg/YUD.svg) | YUD | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate | 組成式: | C31 H42 N2 O8 S | SMILES: | OC1CCc2cc(ccc21)S(=O)(=O)N(CC(C)CC)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C31H42N2O8S/c1-3-20(2)17-33(42(37,38)23-10-11-24-22(16-23)9-12-27(24)34)18-28(35)26(15-21-7-5-4-6-8-21)32-31(36)41-29-19-40-30-25(29)13-14-39-30/h4-8,10-11,16,20,25-30,34-35H,3,9,12-15,17-19H2,1-2H3,(H,32,36)/t20-,25-,26-,27-,28+,29-,30+/m0/s1 | 定義日: | 2021-03-31 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate |
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![YUJ YUJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YUJ.svg) | YUJ | 表記: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | 組成式: | C30 H40 N2 O8 S | SMILES: | OC1CCc2cc(ccc21)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C30H40N2O8S/c1-19(2)16-32(41(36,37)22-9-10-23-21(15-22)8-11-26(23)33)17-27(34)25(14-20-6-4-3-5-7-20)31-30(35)40-28-18-39-29-24(28)12-13-38-29/h3-7,9-10,15,19,24-29,33-34H,8,11-14,16-18H2,1-2H3,(H,31,35)/t24-,25-,26-,27+,28-,29+/m0/s1 | 定義日: | 2021-03-31 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate |
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![KYX KYX](https://data.pdbj.org/pdbjplus/data/cc/svg/KYX.svg) | KYX | 表記: | N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide | 組成式: | C20 H23 N5 O2 | SMILES: | CC(C)(C)CNC(=O)Nc1ccc(cc1)NC(=O)c1cccc2cn[NH]c12 | InChi: | InChI=1S/C20H23N5O2/c1-20(2,3)12-21-19(27)24-15-9-7-14(8-10-15)23-18(26)16-6-4-5-13-11-22-25-17(13)16/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)(H2,21,24,27) | 定義日: | 2022-02-24 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide |
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![IYY IYY](https://data.pdbj.org/pdbjplus/data/cc/svg/IYY.svg) | IYY | 表記: | L-cystine | 組成式: | C6 H12 N2 O4 S2 | SMILES: | N[CH](CSSC[CH](N)C(O)=O)C(O)=O | InChi: | InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1 | 別名: | (2R)-2-azanyl-3-[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid | 定義日: | 2022-04-20 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | (2~{R})-2-azanyl-3-[[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid |
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![1IV 1IV](https://data.pdbj.org/pdbjplus/data/cc/svg/1IV.svg) | 1IV | 表記: | [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone | 組成式: | C32 H30 Cl N7 O | SMILES: | Cc1ccc2n(Cc3ccc(Cl)cc3)c(cc2c1)[CH]4C[CH](CN4C(=O)c5cnc6[nH]ccc6c5)n7ccnc7CN | InChi: | InChI=1S/C32H30ClN7O/c1-20-2-7-27-23(12-20)14-28(39(27)18-21-3-5-25(33)6-4-21)29-15-26(38-11-10-35-30(38)16-34)19-40(29)32(41)24-13-22-8-9-36-31(22)37-17-24/h2-14,17,26,29H,15-16,18-19,34H2,1H3,(H,36,37)/t26-,29+/m0/s1 | 定義日: | 2022-01-24 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone |
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![I3J I3J](https://data.pdbj.org/pdbjplus/data/cc/svg/I3J.svg) | I3J | 表記: | (2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoic acid | 組成式: | C10 H9 N O3 | SMILES: | Oc1ccc(CC([N+]#[C-])C(=O)O)cc1 | InChi: | InChI=1S/C10H9NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6H2,(H,13,14)/t9-/m0/s1 | 別名: | tyrosine isonitrile | 定義日: | 2022-01-07 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | (2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoic acid |
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![IAZ IAZ](https://data.pdbj.org/pdbjplus/data/cc/svg/IAZ.svg) | IAZ | 表記: | ~{N}-(furan-2-ylmethyl)-6-phenoxy-1~{H}-benzimidazol-2-amine | 組成式: | C18 H15 N3 O2 | SMILES: | C(Nc1[nH]c2cc(Oc3ccccc3)ccc2n1)c4occc4 | InChi: | InChI=1S/C18H15N3O2/c1-2-5-13(6-3-1)23-14-8-9-16-17(11-14)21-18(20-16)19-12-15-7-4-10-22-15/h1-11H,12H2,(H2,19,20,21) | 定義日: | 2022-03-04 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | ~{N}-(furan-2-ylmethyl)-6-phenoxy-1~{H}-benzimidazol-2-amine |
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![IG3 IG3](https://data.pdbj.org/pdbjplus/data/cc/svg/IG3.svg) | IG3 | 表記: | ~{N}-[4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide | 組成式: | C26 H23 N7 O4 S3 | SMILES: | C[S](=O)(=O)Nc1cccc(c1)c2csc(NC(=O)CSC3=Nc4nccnc4C(=O)N3CCc5ccccc5)n2 | InChi: | InChI=1S/C26H23N7O4S3/c1-40(36,37)32-19-9-5-8-18(14-19)20-15-38-25(29-20)30-21(34)16-39-26-31-23-22(27-11-12-28-23)24(35)33(26)13-10-17-6-3-2-4-7-17/h2-9,11-12,14-15,32H,10,13,16H2,1H3,(H,29,30,34) | 定義日: | 2022-03-18 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | ~{N}-[4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide |
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![EIZ EIZ](https://data.pdbj.org/pdbjplus/data/cc/svg/EIZ.svg) | EIZ | 表記: | tert-butyl N-[3-(2-hydroxyethylcarbamoyl)-5-phenyl-thiophen-2-yl]carbamate | 組成式: | C18 H22 N2 O4 S | SMILES: | CC(C)(C)OC(=O)Nc1sc(cc1C(=O)NCCO)c2ccccc2 | InChi: | InChI=1S/C18H22N2O4S/c1-18(2,3)24-17(23)20-16-13(15(22)19-9-10-21)11-14(25-16)12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,19,22)(H,20,23) | 別名: | (2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1-oxidanyl-hexane-1-sulfonic acid | 定義日: | 2022-01-10 | 最終更新日: | 2022-08-26 | 公開日: | 2022-08-31 | 識別子(ID): | ~{tert}-butyl ~{N}-[3-(2-hydroxyethylcarbamoyl)-5-phenyl-thiophen-2-yl]carbamate |
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