![6GI 6GI](https://data.pdbj.org/pdbjplus/data/cc/svg/6GI.svg) | 6GI | 表記: | 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine | 組成式: | C26 H23 N7 O3 | SMILES: | NC1=Nc2nc3cc4OCCCOc4cc3n2[CH](N1)c5ccc(OCc6cn7ccccc7n6)cc5 | InChi: | InChI=1S/C26H23N7O3/c27-25-30-24(33-20-13-22-21(34-10-3-11-35-22)12-19(20)29-26(33)31-25)16-5-7-18(8-6-16)36-15-17-14-32-9-2-1-4-23(32)28-17/h1-2,4-9,12-14,24H,3,10-11,15H2,(H3,27,29,30,31)/t24-/m1/s1 | 定義日: | 2022-02-10 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 |
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![HWX HWX](https://data.pdbj.org/pdbjplus/data/cc/svg/HWX.svg) | HWX | 表記: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid | 組成式: | C11 H20 N4 O6 | SMILES: | C[CH](NC(=O)[CH](CCNCC(O)=O)NC(C)=O)C(=O)NO | InChi: | InChI=1S/C11H20N4O6/c1-6(10(19)15-21)13-11(20)8(14-7(2)16)3-4-12-5-9(17)18/h6,8,12,21H,3-5H2,1-2H3,(H,13,20)(H,14,16)(H,15,19)(H,17,18)/t6-,8+/m1/s1 | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid |
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![HX6 HX6](https://data.pdbj.org/pdbjplus/data/cc/svg/HX6.svg) | HX6 | 表記: | N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide | 組成式: | C14 H14 N2 O4 S | SMILES: | N[S](=O)(=O)c1ccc(Cc2ccc(cc2)C(=O)NO)cc1 | InChi: | InChI=1S/C14H14N2O4S/c15-21(19,20)13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20) | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | ~{N}-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide |
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![HX9 HX9](https://data.pdbj.org/pdbjplus/data/cc/svg/HX9.svg) | HX9 | 表記: | (2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid | 組成式: | C14 H24 N4 O7 | SMILES: | C[CH](NC(=O)[CH](CCC[CH](NC(C)=O)C(O)=O)NC(C)=O)C(=O)NO | InChi: | InChI=1S/C14H24N4O7/c1-7(12(21)18-25)15-13(22)10(16-8(2)19)5-4-6-11(14(23)24)17-9(3)20/h7,10-11,25H,4-6H2,1-3H3,(H,15,22)(H,16,19)(H,17,20)(H,18,21)(H,23,24)/t7-,10+,11-/m1/s1 | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | (2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid |
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![HXF HXF](https://data.pdbj.org/pdbjplus/data/cc/svg/HXF.svg) | HXF | 表記: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid | 組成式: | C18 H26 N4 O6 | SMILES: | C[CH](NC(=O)[CH](CCN(CC(O)=O)Cc1ccccc1)NC(C)=O)C(=O)NO | InChi: | InChI=1S/C18H26N4O6/c1-12(17(26)21-28)19-18(27)15(20-13(2)23)8-9-22(11-16(24)25)10-14-6-4-3-5-7-14/h3-7,12,15,28H,8-11H2,1-2H3,(H,19,27)(H,20,23)(H,21,26)(H,24,25)/t12-,15+/m1/s1 | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid |
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![HXO HXO](https://data.pdbj.org/pdbjplus/data/cc/svg/HXO.svg) | HXO | 表記: | (2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide | 組成式: | C14 H20 N4 O6 S | SMILES: | C[CH](NC(=O)[CH](Cc1ccc(cc1)[S](N)(=O)=O)NC(C)=O)C(=O)NO | InChi: | InChI=1S/C14H20N4O6S/c1-8(13(20)18-22)16-14(21)12(17-9(2)19)7-10-3-5-11(6-4-10)25(15,23)24/h3-6,8,12,22H,7H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)(H2,15,23,24)/t8-,12+/m1/s1 | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | (2~{S})-2-acetamido-~{N}-[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide |
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![HY9 HY9](https://data.pdbj.org/pdbjplus/data/cc/svg/HY9.svg) | HY9 | 表記: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid | 組成式: | C17 H30 N4 O6 | SMILES: | C[CH](NC(=O)[CH](CCN(CC1CCCC1)CC(O)=O)NC(C)=O)C(=O)NO | InChi: | InChI=1S/C17H30N4O6/c1-11(16(25)20-27)18-17(26)14(19-12(2)22)7-8-21(10-15(23)24)9-13-5-3-4-6-13/h11,13-14,27H,3-10H2,1-2H3,(H,18,26)(H,19,22)(H,20,25)(H,23,24)/t11-,14+/m1/s1 | 定義日: | 2021-02-22 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | 2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid |
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![BKU BKU](https://data.pdbj.org/pdbjplus/data/cc/svg/BKU.svg) | BKU | 表記: | (1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name) | 組成式: | C38 H54 Cl N3 O10 S2 | SMILES: | c42cc(OC)c(Cl)c(N(C)C(=O)CC(C1(C)OC1C(C)C3OC(NC(C(OC)C=CC=C(C2)C)(C3)O)=O)OC(=O)C(C)N(C)C(=O)CC(C)(C)SSC)c4 | InChi: | InChI=1S/C38H54ClN3O10S2/c1-21-13-12-14-28(49-10)38(47)19-27(50-35(46)40-38)22(2)33-37(6,52-33)29(51-34(45)23(3)41(7)31(44)20-36(4,5)54-53-11)18-30(43)42(8)25-16-24(15-21)17-26(48-9)32(25)39/h12-14,16-17,22-23,27-29,33,47H,15,18-20H2,1-11H3,(H,40,46)/b14-12+,21-13+/t22-,23-,27-,28-,29-,33-,37+,38+/m0/s1 | 定義日: | 2019-02-20 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | (1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name) |
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![0QQ 0QQ](https://data.pdbj.org/pdbjplus/data/cc/svg/0QQ.svg) | 0QQ | 表記: | N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide | 組成式: | C20 H20 F2 N4 O3 S | SMILES: | C[CH]1SC(=N[C](C)([CH]1F)c2cc(NC(=O)c3cc4OCCOc4cn3)ccc2F)N | InChi: | InChI=1S/C20H20F2N4O3S/c1-10-17(22)20(2,26-19(23)30-10)12-7-11(3-4-13(12)21)25-18(27)14-8-15-16(9-24-14)29-6-5-28-15/h3-4,7-10,17H,5-6H2,1-2H3,(H2,23,26)(H,25,27)/t10-,17+,20-/m1/s1 | 定義日: | 2021-06-11 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | ~{N}-[3-[(4~{R},5~{R},6~{R})-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide |
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![CT6 CT6](https://data.pdbj.org/pdbjplus/data/cc/svg/CT6.svg) | CT6 | 表記: | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE | 組成式: | C18 H14 Br N5 | SMILES: | Brc4cccc(c1nc3[n+](c(c1)NCc2ccncc2)ncc3)c4 | InChi: | InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)16-11-18(24-17(23-16)6-9-22-24)21-12-13-4-7-20-8-5-13/h1-11H,12H2,(H,21,22,23)/p+1 | 定義日: | 2005-11-08 | 最終更新日: | 2022-02-18 | 識別子(ID): | 5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-pyrazolo[1,5-a]pyrimidin-8-ium |
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![04Y 04Y](https://data.pdbj.org/pdbjplus/data/cc/svg/04Y.svg) | 04Y | 表記: | N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide | 組成式: | C20 H23 N3 O | SMILES: | O=C(NC1CC1)C1CCN(CC1)c1cnccc1c1ccccc1 | InChi: | InChI=1S/C20H23N3O/c24-20(22-17-6-7-17)16-9-12-23(13-10-16)19-14-21-11-8-18(19)15-4-2-1-3-5-15/h1-5,8,11,14,16-17H,6-7,9-10,12-13H2,(H,22,24) | 定義日: | 2021-06-01 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide |
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![05D 05D](https://data.pdbj.org/pdbjplus/data/cc/svg/05D.svg) | 05D | 表記: | N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide | 組成式: | C17 H23 N5 O | SMILES: | CN(C)C(=O)C1CCN(CC1)c1cnccc1n1cc(C)cn1 | InChi: | InChI=1S/C17H23N5O/c1-13-10-19-22(12-13)15-4-7-18-11-16(15)21-8-5-14(6-9-21)17(23)20(2)3/h4,7,10-12,14H,5-6,8-9H2,1-3H3 | 定義日: | 2021-06-01 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide |
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![KJL KJL](https://data.pdbj.org/pdbjplus/data/cc/svg/KJL.svg) | KJL | 表記: | Archazolid A | 組成式: | C42 H62 N2 O7 S | SMILES: | O=C(OC(CC(C)C)c1nc(cs1)C1OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(C)C=C(C)C=CC(O)C(C)C(OC)C(C)=CC=CC1C)NC | InChi: | InChI=1S/C42H62N2O7S/c1-25(2)20-37(50-42(48)43-11)40-44-34(24-52-40)39-30(7)15-13-14-29(6)38(49-12)33(10)35(45)19-17-26(3)21-28(5)22-32(9)36(46)23-27(4)16-18-31(8)41(47)51-39/h13-15,17-19,21-25,30,32-33,35-39,45-46H,16,20H2,1-12H3,(H,43,48)/b15-13+,19-17+,26-21-,27-23+,28-22-,29-14+,31-18+/t30-,32-,33-,35+,36+,37-,38+,39-/m0/s1 | 別名: | (1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate | 定義日: | 2022-02-03 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | (1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate |
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![4VH 4VH](https://data.pdbj.org/pdbjplus/data/cc/svg/4VH.svg) | 4VH | 表記: | N-[2-[4-[(2S)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide | 組成式: | C30 H38 N6 O10 S | SMILES: | OCCNC(=O)[CH](Cc1cn(CCNC(=O)c2ccc(S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2)nn1)NC(=O)COc4ccccc4 | InChi: | InChI=1S/C30H38N6O10S/c37-13-11-32-29(44)22(33-24(39)17-45-20-4-2-1-3-5-20)14-19-15-36(35-34-19)12-10-31-28(43)18-6-8-21(9-7-18)47-30-27(42)26(41)25(40)23(16-38)46-30/h1-9,15,22-23,25-27,30,37-38,40-42H,10-14,16-17H2,(H,31,43)(H,32,44)(H,33,39)/t22-,23+,25-,26-,27+,30-/m0/s1 | 定義日: | 2021-08-06 | 最終更新日: | 2022-02-15 | 公開日: | 2022-02-16 | 識別子(ID): | ~{N}-[2-[4-[(2~{S})-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide |
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![YA7 YA7](https://data.pdbj.org/pdbjplus/data/cc/svg/YA7.svg) | YA7 | 表記: | N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide | 組成式: | C26 H29 N5 O5 S | SMILES: | COc1ncc(cc1N[S](C)(=O)=O)c2cc(cc3C(=O)NCc23)c4ccnc(c4)N5C[CH](C)O[CH](C)C5 | InChi: | InChI=1S/C26H29N5O5S/c1-15-13-31(14-16(2)36-15)24-10-17(5-6-27-24)18-7-20(22-12-28-25(32)21(22)8-18)19-9-23(30-37(4,33)34)26(35-3)29-11-19/h5-11,15-16,30H,12-14H2,1-4H3,(H,28,32)/t15-,16+ | 定義日: | 2021-02-15 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | ~{N}-[5-[6-[2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyridin-4-yl]-1-oxidanylidene-2,3-dihydroisoindol-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide |
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![YAD YAD](https://data.pdbj.org/pdbjplus/data/cc/svg/YAD.svg) | YAD | 表記: | (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate | 組成式: | C24 H25 N5 O5 | SMILES: | OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)OCc3ccccc3)C(=O)NCCc4ccncc4 | InChi: | InChI=1S/C24H25N5O5/c30-20-19(22(31)26-13-10-16-8-11-25-12-9-16)27-21(28-23(20)32)18-7-4-14-29(18)24(33)34-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,18,30H,4,7,10,13-15H2,(H,26,31)(H,27,28,32)/t18-/m0/s1 | 定義日: | 2021-02-15 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate |
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![YB4 YB4](https://data.pdbj.org/pdbjplus/data/cc/svg/YB4.svg) | YB4 | 表記: | ~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide | 組成式: | C35 H42 N8 O2 | SMILES: | CCC(=O)Nc1cc(ccc1Nc2ncc3CCc4n(ccc4C(=O)Nc5c(CC)cccc5CC)c3n2)N6CCN(C)CC6 | InChi: | InChI=1S/C35H42N8O2/c1-5-23-9-8-10-24(6-2)32(23)39-34(45)27-15-16-43-30(27)14-11-25-22-36-35(40-33(25)43)38-28-13-12-26(21-29(28)37-31(44)7-3)42-19-17-41(4)18-20-42/h8-10,12-13,15-16,21-22H,5-7,11,14,17-20H2,1-4H3,(H,37,44)(H,39,45)(H,36,38,40) | 定義日: | 2021-02-15 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | ~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide |
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![V8K V8K](https://data.pdbj.org/pdbjplus/data/cc/svg/V8K.svg) | V8K | 表記: | Dolichylphosphate | 組成式: | C55 H91 O4 P | SMILES: | C[CH](CCO[P](O)(O)=O)CCC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | InChi: | InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h21,23,25,27,29,31,33,35,37,39-41,55H,13-20,22,24,26,28,30,32,34,36,38,42-44H2,1-12H3,(H2,56,57,58)/b40-21+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+/t55-/m1/s1 | 定義日: | 2021-04-29 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | [(3~{R},6~{E},8~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,8,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate |
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![U28 U28](https://data.pdbj.org/pdbjplus/data/cc/svg/U28.svg) | U28 | 表記: | methyl (Z)-4-(1-(3-chlorobenzyl)-4-ethylpiperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate | 組成式: | C19 H24 Cl N O4 | SMILES: | CCC1(CCN(CC1)Cc2cccc(Cl)c2)C(=O)C=C(O)C(=O)OC | InChi: | InChI=1S/C19H24ClNO4/c1-3-19(17(23)12-16(22)18(24)25-2)7-9-21(10-8-19)13-14-5-4-6-15(20)11-14/h4-6,11-12,22H,3,7-10,13H2,1-2H3/b16-12- | 定義日: | 2021-06-01 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | methyl (~{Z})-4-[1-[(3-chlorophenyl)methyl]-4-ethyl-piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate |
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![NY9 NY9](https://data.pdbj.org/pdbjplus/data/cc/svg/NY9.svg) | NY9 | 表記: | N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea | 組成式: | C23 H28 N4 O3 | SMILES: | CCN(CC)c1ccc2c(c1)OC(=O)C(CCNC(=O)NCc1cccnc1)=C2C | InChi: | InChI=1S/C23H28N4O3/c1-4-27(5-2)18-8-9-19-16(3)20(22(28)30-21(19)13-18)10-12-25-23(29)26-15-17-7-6-11-24-14-17/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H2,25,26,29) | 定義日: | 2021-08-17 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea |
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![Y37 Y37](https://data.pdbj.org/pdbjplus/data/cc/svg/Y37.svg) | Y37 | 表記: | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid | 組成式: | C14 H18 F N2 O7 P | SMILES: | C1C(C(=CC1C(O)=O)NCc2c(cnc(C)c2O)COP(O)(O)=O)F | InChi: | InChI=1S/C14H18FN2O7P/c1-7-13(18)10(9(4-16-7)6-24-25(21,22)23)5-17-12-3-8(14(19)20)2-11(12)15/h3-4,8,11,17-18H,2,5-6H2,1H3,(H,19,20)(H2,21,22,23)/t8-,11-/m1/s1 | 定義日: | 2021-02-01 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid |
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![Y3D Y3D](https://data.pdbj.org/pdbjplus/data/cc/svg/Y3D.svg) | Y3D | 表記: | (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid | 組成式: | C14 H17 N2 O8 P | SMILES: | [C@H](c1c(cnc(C)c1O)COP(=O)(O)O)=NC2CC(CC2=O)C(O)=O | InChi: | InChI=1S/C14H17N2O8P/c1-7-13(18)10(9(4-15-7)6-24-25(21,22)23)5-16-11-2-8(14(19)20)3-12(11)17/h4-5,8,11,18H,2-3,6H2,1H3,(H,19,20)(H2,21,22,23)/b16-5+/t8-,11+/m1/s1 | 定義日: | 2021-02-01 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid |
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![Z3J Z3J](https://data.pdbj.org/pdbjplus/data/cc/svg/Z3J.svg) | Z3J | 表記: | 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide | 組成式: | C23 H24 N2 O5 | SMILES: | CNC(=O)c1c2c(oc1c1ccc(O)cc1)ccc(O)c2CN1CCC2(C1)COC2 | InChi: | InChI=1S/C23H24N2O5/c1-24-22(28)20-19-16(10-25-9-8-23(11-25)12-29-13-23)17(27)6-7-18(19)30-21(20)14-2-4-15(26)5-3-14/h2-7,26-27H,8-13H2,1H3,(H,24,28) | 定義日: | 2021-04-08 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide |
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![VTY VTY](https://data.pdbj.org/pdbjplus/data/cc/svg/VTY.svg) | VTY | 表記: | (5S)-5-hydroxy-3-methylfuran-2(5H)-one | 組成式: | C5 H6 O3 | SMILES: | CC1=CC(OC1=O)O | InChi: | InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3/t4-/m0/s1 | 定義日: | 2020-09-14 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (5S)-5-hydroxy-3-methylfuran-2(5H)-one |
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![YOV YOV](https://data.pdbj.org/pdbjplus/data/cc/svg/YOV.svg) | YOV | 表記: | 4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one | 組成式: | C15 H19 Cl N4 O | SMILES: | CN1N=CC(Nc2ccc(CCN(C)C)cc2)=C(Cl)C1=O | InChi: | InChI=1S/C15H19ClN4O/c1-19(2)9-8-11-4-6-12(7-5-11)18-13-10-17-20(3)15(21)14(13)16/h4-7,10,18H,8-9H2,1-3H3 | 定義日: | 2021-03-18 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | 4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one |
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