![RZV RZV](https://data.pdbj.org/pdbjplus/data/cc/svg/RZV.svg) | RZV | 表記: | (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid | 組成式: | C12 H20 N O9 P | SMILES: | CC(=O)N[CH](CCC(O)=O)[P](O)(=O)C[CH](CCC(O)=O)C(O)=O | InChi: | InChI=1S/C12H20NO9P/c1-7(14)13-9(3-5-11(17)18)23(21,22)6-8(12(19)20)2-4-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t8-,9-/m1/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid |
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![RZY RZY](https://data.pdbj.org/pdbjplus/data/cc/svg/RZY.svg) | RZY | 表記: | (2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid | 組成式: | C10 H19 N O10 P2 | SMILES: | C[CH](NC(C)=O)[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O | InChi: | InChI=1S/C10H19NO10P2/c1-6(12)11-7(2)22(17,21-23(18,19)20)5-8(10(15)16)3-4-9(13)14/h7-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)(H2,18,19,20)/t7-,8+,22+/m0/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid |
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![S37 S37](https://data.pdbj.org/pdbjplus/data/cc/svg/S37.svg) | S37 | 表記: | (2~{S})-2-[[[(3~{S})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid | 組成式: | C12 H20 N O9 P | SMILES: | CC(=O)N[CH](CC[P](O)(=O)C[CH](CCC(O)=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C12H20NO9P/c1-7(14)13-9(12(19)20)4-5-23(21,22)6-8(11(17)18)2-3-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t8-,9+/m1/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (2~{S})-2-[[[(3~{S})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid |
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![S3A S3A](https://data.pdbj.org/pdbjplus/data/cc/svg/S3A.svg) | S3A | 表記: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid | 組成式: | C12 H21 N O12 P2 | SMILES: | CC(=O)N[CH](CC[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O)C(O)=O | InChi: | InChI=1S/C12H21NO12P2/c1-7(14)13-9(12(19)20)4-5-26(21,25-27(22,23)24)6-8(11(17)18)2-3-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,22,23,24)/t8-,9-,26+/m1/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid |
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![8QX 8QX](https://data.pdbj.org/pdbjplus/data/cc/svg/8QX.svg) | 8QX | 表記: | 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one | 組成式: | C23 H26 Br F N4 O2 | SMILES: | CC(C)N1CCC[CH](C1)CN2C(=Nc3ccc(Oc4ccc(Br)cc4F)nc3C2=O)C | InChi: | InChI=1S/C23H26BrFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1 | 定義日: | 2017-08-28 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 6-(4-bromanyl-2-fluoranyl-phenoxy)-2-methyl-3-[[(3~{S})-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,2-d]pyrimidin-4-one |
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![UMJ UMJ](https://data.pdbj.org/pdbjplus/data/cc/svg/UMJ.svg) | UMJ | 表記: | 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid | 組成式: | C15 H18 N2 O2 | SMILES: | c2cccc(Cn1c(C(O)=O)cc(n1)C(C)(C)C)c2 | InChi: | InChI=1S/C15H18N2O2/c1-15(2,3)13-9-12(14(18)19)17(16-13)10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,18,19) | 定義日: | 2020-05-22 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid |
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![UOY UOY](https://data.pdbj.org/pdbjplus/data/cc/svg/UOY.svg) | UOY | 表記: | 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine | 組成式: | C19 H22 N2 O4 | SMILES: | C(=O)(c1cnc(cc1)Oc2ccccc2)NC(C(=O)O)CC(C)(C)C | InChi: | InChI=1S/C19H22N2O4/c1-19(2,3)11-15(18(23)24)21-17(22)13-9-10-16(20-12-13)25-14-7-5-4-6-8-14/h4-10,12,15H,11H2,1-3H3,(H,21,22)(H,23,24)/t15-/m0/s1 | 定義日: | 2020-05-26 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine |
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![UP4 UP4](https://data.pdbj.org/pdbjplus/data/cc/svg/UP4.svg) | UP4 | 表記: | N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine | 組成式: | C15 H19 Cl2 N O3 | SMILES: | C(NC(c1cc(Cl)cc(Cl)c1)=O)(C(=O)O)CCC(C)(C)C | InChi: | InChI=1S/C15H19Cl2NO3/c1-15(2,3)5-4-12(14(20)21)18-13(19)9-6-10(16)8-11(17)7-9/h6-8,12H,4-5H2,1-3H3,(H,18,19)(H,20,21)/t12-/m0/s1 | 定義日: | 2020-05-26 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine |
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![V1P V1P](https://data.pdbj.org/pdbjplus/data/cc/svg/V1P.svg) | V1P | 表記: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide | 組成式: | C24 H35 N5 O4 | SMILES: | O=C(C1CN(C)C1)NC(CCCCCC(CC)(O)O)c3nc(c2ccccc2)nc3C(N)=O | InChi: | InChI=1S/C24H35N5O4/c1-3-24(32,33)13-9-5-8-12-18(26-23(31)17-14-29(2)15-17)19-20(21(25)30)28-22(27-19)16-10-6-4-7-11-16/h4,6-7,10-11,17-18,32-33H,3,5,8-9,12-15H2,1-2H3,(H2,25,30)(H,26,31)(H,27,28)/t18-/m0/s1 | 定義日: | 2020-06-15 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide |
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![V1S V1S](https://data.pdbj.org/pdbjplus/data/cc/svg/V1S.svg) | V1S | 表記: | (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide | 組成式: | C28 H38 F N5 O3 | SMILES: | N#Cc1c(nc(n1)c2ccc(cc2)F)C(NC(C4C3(CCN(C)CC3)C4)=O)CCCCCC(CC)(O)O | InChi: | InChI=1S/C28H38FN5O3/c1-3-28(36,37)12-6-4-5-7-22(32-26(35)21-17-27(21)13-15-34(2)16-14-27)24-23(18-30)31-25(33-24)19-8-10-20(29)11-9-19/h8-11,21-22,36-37H,3-7,12-17H2,1-2H3,(H,31,33)(H,32,35)/t21-,22+/m1/s1 | 定義日: | 2020-06-15 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide |
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![V27 V27](https://data.pdbj.org/pdbjplus/data/cc/svg/V27.svg) | V27 | 表記: | 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one | 組成式: | C28 H30 F6 N2 O3 | SMILES: | OC(C(F)(F)F)(c1ccc(cc1)C2C(CN(C2)C(C3CCN(C(=O)C)CC3)=O)(c4ccccc4)C)C(F)(F)F | InChi: | InChI=1S/C28H30F6N2O3/c1-18(37)35-14-12-20(13-15-35)24(38)36-16-23(25(2,17-36)21-6-4-3-5-7-21)19-8-10-22(11-9-19)26(39,27(29,30)31)28(32,33)34/h3-11,20,23,39H,12-17H2,1-2H3/t23-,25+/m0/s1 | 定義日: | 2020-06-17 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one |
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![V3S V3S](https://data.pdbj.org/pdbjplus/data/cc/svg/V3S.svg) | V3S | 表記: | (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide | 組成式: | C16 H21 N5 O2 | SMILES: | c3n(c(c2cccc(NC(=O)C1CCCCO1)n2)nn3)C(C)C | InChi: | InChI=1S/C16H21N5O2/c1-11(2)21-10-17-20-15(21)12-6-5-8-14(18-12)19-16(22)13-7-3-4-9-23-13/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,18,19,22)/t13-/m1/s1 | 定義日: | 2020-06-22 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide |
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![VBG VBG](https://data.pdbj.org/pdbjplus/data/cc/svg/VBG.svg) | VBG | 表記: | 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile | 組成式: | C34 H30 F8 N4 O5 S | SMILES: | O=C(N5CCN(C(N4CCC(c2ccc(C(OCc1c(F)cccc1C#N)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c3ccc(cc3)F)C4)=O)CC5)C | InChi: | InChI=1S/C34H30F8N4O5S/c1-22(47)44-15-17-45(18-16-44)30(48)46-14-13-31(21-46,52(49,50)27-11-9-26(35)10-12-27)24-5-7-25(8-6-24)32(33(37,38)39,34(40,41)42)51-20-28-23(19-43)3-2-4-29(28)36/h2-12H,13-18,20-21H2,1H3/t31-/m0/s1 | 定義日: | 2020-07-22 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile |
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![VDJ VDJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VDJ.svg) | VDJ | 表記: | [4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},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: | C21 H35 F2 N3 O8 S | SMILES: | C(C(NC(CC1C(=O)NCC1)C(S(O)(=O)=O)O)=O)(CC(C)C)NC(=O)OCC2CCC(CC2)(F)F | InChi: | InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t14-,15-,16-,19+/m0/s1 | 定義日: | 2020-07-30 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (1R,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![DL9 DL9](https://data.pdbj.org/pdbjplus/data/cc/svg/DL9.svg) | DL9 | 表記: | (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol | 組成式: | C31 H35 N O2 | SMILES: | OCCCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(cc3)C4CCN(CC4)C5CC5 | InChi: | InChI=1S/C31H35NO2/c33-22-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-20-32(21-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,33-34H,4,7,14-15,18-22H2/b31-30+ | 定義日: | 2019-08-13 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 4-[(~{E})-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-oxidanyl-2-phenyl-pent-1-enyl]phenol |
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![OGH OGH](https://data.pdbj.org/pdbjplus/data/cc/svg/OGH.svg) | OGH | 表記: | 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine | 組成式: | C21 H21 F N8 O | SMILES: | CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4)nc(N5C[CH]6C(N)[CH]6C5)c23 | InChi: | InChI=1S/C21H21FN8O/c1-9-25-5-11(6-26-9)31-21-28-19-16(12-3-10(22)4-15(24-2)18(12)27-19)20(29-21)30-7-13-14(8-30)17(13)23/h3-6,13-14,17,24H,7-8,23H2,1-2H3,(H,27,28,29)/t13-,14+,17+ | 定義日: | 2020-03-05 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine |
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![WXM WXM](https://data.pdbj.org/pdbjplus/data/cc/svg/WXM.svg) | WXM | 表記: | 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid | 組成式: | C12 H17 B N O6 S | SMILES: | OC(=O)C[CH]1CC[CH](NC(=O)Cc2sccc2)[B-](O)(O)O1 | InChi: | InChI=1S/C12H17BNO6S/c15-11(7-9-2-1-5-21-9)14-10-4-3-8(6-12(16)17)20-13(10,18)19/h1-2,5,8,10,18-19H,3-4,6-7H2,(H,14,15)(H,16,17)/q-1/t8-,10-/m0/s1 | 定義日: | 2019-12-11 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid |
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![F4O F4O](https://data.pdbj.org/pdbjplus/data/cc/svg/F4O.svg) | F4O | 表記: | 6-methoxy-streptovaricin C | 組成式: | C40 H53 N O14 | SMILES: | COC(=O)[CH]1[CH](O)[CH](C)[CH](O)[CH](C)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c(O)c(C)c(OC)c3C(=O)C(=C[C](C)(O)[CH](O)[CH](C)[CH]1O)C)c2O | InChi: | InChI=1S/C40H53NO14/c1-16-13-12-14-17(2)38(50)41-28-19(4)36(55-23(8)42)24-25(34(28)48)32(46)21(6)35(53-10)26(24)30(44)18(3)15-40(9,52)37(49)22(7)33(47)27(39(51)54-11)31(45)20(5)29(16)43/h12-16,20,22,27,29,31,33,37,43,45-49,52H,1-11H3,(H,41,50)/b13-12-,17-14+,18-15+/t16-,20-,22+,27-,29-,31-,33-,37+,40-/m1/s1 | 定義日: | 2020-03-24 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 |
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![O0W O0W](https://data.pdbj.org/pdbjplus/data/cc/svg/O0W.svg) | O0W | 表記: | 5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one | 組成式: | C21 H22 N4 O2 | SMILES: | CN1C=C(c2cc(C)c3nn(cc3c2)C4CCNCC4)c5occc5C1=O | InChi: | InChI=1S/C21H22N4O2/c1-13-9-14(18-12-24(2)21(26)17-5-8-27-20(17)18)10-15-11-25(23-19(13)15)16-3-6-22-7-4-16/h5,8-12,16,22H,3-4,6-7H2,1-2H3 | 定義日: | 2020-01-15 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one |
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![Y41 Y41](https://data.pdbj.org/pdbjplus/data/cc/svg/Y41.svg) | Y41 | 表記: | 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide | 組成式: | C20 H20 N2 O | SMILES: | O=C(c1cccc(N)c1C)NC(C)c2cccc3c2cccc3 | InChi: | InChI=1S/C20H20N2O/c1-13-16(10-6-12-19(13)21)20(23)22-14(2)17-11-5-8-15-7-3-4-9-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1 | 定義日: | 2020-08-04 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide |
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![ZVP ZVP](https://data.pdbj.org/pdbjplus/data/cc/svg/ZVP.svg) | ZVP | 表記: | 7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide | 組成式: | C26 H24 N4 O5 S | SMILES: | C6Oc1c(cc(cc1C(NCc2cnccc2)=O)c5c4c(C(C=C(N3CCNCC3)O4)=O)sc5)OC6 | InChi: | InChI=1S/C26H24N4O5S/c31-20-12-22(30-6-4-27-5-7-30)35-24-19(15-36-25(20)24)17-10-18(23-21(11-17)33-8-9-34-23)26(32)29-14-16-2-1-3-28-13-16/h1-3,10-13,15,27H,4-9,14H2,(H,29,32) | 定義日: | 2020-06-01 | 最終更新日: | 2020-07-31 | 公開日: | 2020-08-05 | 識別子(ID): | 7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide |
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![KV9 KV9](https://data.pdbj.org/pdbjplus/data/cc/svg/KV9.svg) | KV9 | 表記: | 7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide | 組成式: | C26 H23 N3 O6 S | SMILES: | O1CCOc2c1cc(cc2C(=O)NCc3cnccc3)c4c5OC(=CC(=O)c5sc4)N6CCOCC6 | InChi: | InChI=1S/C26H23N3O6S/c30-20-12-22(29-4-6-32-7-5-29)35-24-19(15-36-25(20)24)17-10-18(23-21(11-17)33-8-9-34-23)26(31)28-14-16-2-1-3-27-13-16/h1-3,10-13,15H,4-9,14H2,(H,28,31) | 定義日: | 2020-06-01 | 最終更新日: | 2020-07-31 | 公開日: | 2020-08-05 | 識別子(ID): | 7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide |
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![NDX NDX](https://data.pdbj.org/pdbjplus/data/cc/svg/NDX.svg) | NDX | 表記: | [[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | 組成式: | C44 H66 N9 O19 P3 | SMILES: | CC(C)(C)NC(=O)[CH]1CC[CH]2[CH]3CC[CH]4NC(=O)[CH](C[C]4(C)[CH]3CC[C]12C)[CH]5C=CN(C=C5C(N)=O)[CH]6O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]7O[CH]([CH](O[P](O)(O)=O)[CH]7O)n8cnc9c(N)ncnc89)[CH](O)[CH]6O | InChi: | InChI=1S/C44H66N9O19P3/c1-42(2,3)51-39(59)26-8-7-24-21-6-9-29-44(5,25(21)10-12-43(24,26)4)14-22(38(58)50-29)20-11-13-52(15-23(20)36(46)57)40-33(56)31(54)27(69-40)16-67-74(63,64)72-75(65,66)68-17-28-32(55)34(71-73(60,61)62)41(70-28)53-19-49-30-35(45)47-18-48-37(30)53/h11,13,15,18-22,24-29,31-34,40-41,54-56H,6-10,12,14,16-17H2,1-5H3,(H2,46,57)(H,50,58)(H,51,59)(H,63,64)(H,65,66)(H2,45,47,48)(H2,60,61,62)/t20-,21+,22+,24+,25+,26-,27-,28-,29-,31-,32-,33-,34-,40-,41-,43+,44-/m1/s1 | 定義日: | 2020-04-15 | 最終更新日: | 2020-07-31 | 公開日: | 2020-08-05 | 識別子(ID): | [[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate |
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![NF3 NF3](https://data.pdbj.org/pdbjplus/data/cc/svg/NF3.svg) | NF3 | 表記: | (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid | 組成式: | C6 H8 O4 | SMILES: | CCOC(=O)C=CC(O)=O | InChi: | InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3- | 定義日: | 2020-05-22 | 最終更新日: | 2020-07-31 | 公開日: | 2020-08-05 | 識別子(ID): | (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid |
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![QL8 QL8](https://data.pdbj.org/pdbjplus/data/cc/svg/QL8.svg) | QL8 | 表記: | 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid | 組成式: | C68 H80 N8 O14 S3 | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)CCOCCOCCOCCOCCOCCOCC#Cc4ccc(OCCCc5sc(nc5C(O)=O)N6CCc7cccc(C(=O)Nc8sc9ccccc9n8)c7C6)cc4)C(C)(C)C)cc2 | InChi: | InChI=1S/C68H80N8O14S3/c1-45-60(91-44-70-45)49-20-16-47(17-21-49)41-69-63(80)55-40-50(77)42-76(55)64(81)61(68(2,3)4)72-58(78)25-29-85-31-33-87-35-37-89-39-38-88-36-34-86-32-30-84-27-8-10-46-18-22-51(23-19-46)90-28-9-15-57-59(65(82)83)73-67(93-57)75-26-24-48-11-7-12-52(53(48)43-75)62(79)74-66-71-54-13-5-6-14-56(54)92-66/h5-7,11-14,16-23,44,50,55,61,77H,9,15,24-43H2,1-4H3,(H,69,80)(H,72,78)(H,82,83)(H,71,74,79)/t50-,55+,61-/m1/s1 | 定義日: | 2020-06-24 | 最終更新日: | 2020-07-31 | 公開日: | 2020-08-05 | 識別子(ID): | 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid |
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