![5LW 5LW](https://data.pdbj.org/pdbjplus/data/cc/svg/5LW.svg) | 5LW | 表記: | 1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | 組成式: | C19 H17 Cl2 N3 O3 | SMILES: | C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl | InChi: | InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19+/m0/s1 | 別名: | Difenoconazole | 定義日: | 2015-10-21 | 最終更新日: | 2020-06-17 | 公開日: | 2016-02-10 | 識別子(ID): | 1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole |
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![5LX 5LX](https://data.pdbj.org/pdbjplus/data/cc/svg/5LX.svg) | 5LX | 表記: | 1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | 組成式: | C19 H17 Cl2 N3 O3 | SMILES: | C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl | InChi: | InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19-/m0/s1 | 別名: | Difenoconazole | 定義日: | 2015-10-21 | 最終更新日: | 2020-06-17 | 公開日: | 2016-02-10 | 識別子(ID): | 1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole |
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![5MD 5MD](https://data.pdbj.org/pdbjplus/data/cc/svg/5MD.svg) | 5MD | 表記: | 2'-deoxy-1-methyl-pseudouridine | 組成式: | C10 H14 N2 O5 | SMILES: | O=C1N(C=C(C(=O)N1)C2OC(CO)C(O)C2)C | InChi: | InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 | 別名: | 5-METHYL-2'-DEOXYPSEUDOURIDINE | 定義日: | 2000-07-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1R)-1,4-anhydro-2-deoxy-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-erythro-pentitol |
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![KZ9 KZ9](https://data.pdbj.org/pdbjplus/data/cc/svg/KZ9.svg) | KZ9 | 表記: | (S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE | 組成式: | C14 H14 N2 O2 S | SMILES: | O=C3C1=C(NC(=S)NC1c2cccc(O)c2)CCC3 | InChi: | InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,13,17H,2,5-6H2,(H2,15,16,19)/t13-/m0/s1 | 別名: | (4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one | 定義日: | 2010-02-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4S)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydroquinazolin-5(1H)-one |
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![5N7 5N7](https://data.pdbj.org/pdbjplus/data/cc/svg/5N7.svg) | 5N7 | 表記: | (13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1,
11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide | 組成式: | C42 H56 N10 O6 S | SMILES: | NC(=N)c1ccc(CNC(=O)[CH]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc5ccc(C[CH](N[S](=O)(=O)NC6CCCCC6)C(=O)N2)cc5)cc3)cc1 | InChi: | InChI=1S/C42H56N10O6S/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56)/t36-,37+/m0/s1 | 別名: | MI-133 | 定義日: | 2015-10-27 | 最終更新日: | 2020-06-17 | 公開日: | 2016-07-13 |
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![KZS KZS](https://data.pdbj.org/pdbjplus/data/cc/svg/KZS.svg) | KZS | 表記: | N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine | 組成式: | C20 H38 N4 O2 | SMILES: | CCOCC1(CCC(CC1)c2nncc2CN(C)CCNC)COCC | InChi: | InChI=1S/C20H38N4O2/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23) | 別名: | GSK3368715 | 定義日: | 2019-01-28 | 最終更新日: | 2020-06-17 | 公開日: | 2019-07-10 | 識別子(ID): | N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine |
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![5NK 5NK](https://data.pdbj.org/pdbjplus/data/cc/svg/5NK.svg) | 5NK | 表記: | 2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol | 組成式: | C22 H30 N6 O | SMILES: | Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc4c(C)cccc24)n1 | InChi: | InChI=1S/C22H30N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,29H,8-14,23H2,1-2H3,(H,25,26) | 別名: | JNJ-2408068 | 定義日: | 2015-10-27 | 最終更新日: | 2020-06-17 | 公開日: | 2015-12-09 | 識別子(ID): | 2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol |
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![5NP 5NP](https://data.pdbj.org/pdbjplus/data/cc/svg/5NP.svg) | 5NP | 表記: | (9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one | 組成式: | C21 H15 Cl N4 O2 | SMILES: | Clc1ccc(cc1)[C]23N(CCN2C(=O)c4ccncc34)C(=O)c5cccnc5 | InChi: | InChI=1S/C21H15ClN4O2/c22-16-5-3-15(4-6-16)21-18-13-24-9-7-17(18)20(28)26(21)11-10-25(21)19(27)14-2-1-8-23-12-14/h1-9,12-13H,10-11H2/t21-/m0/s1 | 別名: | BTA-9881 | 定義日: | 2015-10-27 | 最終更新日: | 2020-06-17 | 公開日: | 2015-12-09 | 識別子(ID): | (9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one |
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![5OD 5OD](https://data.pdbj.org/pdbjplus/data/cc/svg/5OD.svg) | 5OD | 表記: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine | 組成式: | C16 H19 Cl2 N5 | SMILES: | CC1(N)CCN(CC1)c2cnc(c(N)n2)c3cccc(Cl)c3Cl | InChi: | InChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22) | 別名: | SHP099 | 定義日: | 2015-10-29 | 最終更新日: | 2020-06-17 | 公開日: | 2016-06-29 | 識別子(ID): | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine |
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![L12 L12](https://data.pdbj.org/pdbjplus/data/cc/svg/L12.svg) | L12 | 表記: | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | 組成式: | C15 H14 N2 | SMILES: | n1ccc(cc1)CCc3c2ccccc2nc3 | InChi: | InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2 | 別名: | INHIBITOR OF P38 KINASE | 定義日: | 2004-09-16 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-(2-pyridin-4-ylethyl)-1H-indole |
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![5OY 5OY](https://data.pdbj.org/pdbjplus/data/cc/svg/5OY.svg) | 5OY | 表記: | 5-phosphono-L-norvaline | 組成式: | C5 H12 N O5 P | SMILES: | N[CH](CCC[P](O)(O)=O)C(O)=O | InChi: | InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1 | 別名: | (2~{S})-2-azanyl-5-phosphono-pentanoic acid | 定義日: | 2015-11-02 | 最終更新日: | 2020-06-17 | 公開日: | 2016-11-09 | 識別子(ID): | (2~{S})-2-azanyl-5-phosphono-pentanoic acid |
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![5PM 5PM](https://data.pdbj.org/pdbjplus/data/cc/svg/5PM.svg) | 5PM | 表記: | 4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline} | 組成式: | C24 H18 N4 S | SMILES: | N(/c3ccc(Sc2ccc(/N=C/c1ncccc1)cc2)cc3)=Cc4ncccc4 | InChi: | InChI=1S/C24H18N4S/c1-3-15-25-21(5-1)17-27-19-7-11-23(12-8-19)29-24-13-9-20(10-14-24)28-18-22-6-2-4-16-26-22/h1-18H/b27-17+,28-18+ | 別名: | 1,1-Bis(N-(4-phenyl)-2-pyridylcarboxaldimine)thioether | 定義日: | 2009-03-17 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4,4'-sulfanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline} |
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![L27 L27](https://data.pdbj.org/pdbjplus/data/cc/svg/L27.svg) | L27 | 表記: | {1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2-
HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | 組成式: | C35 H37 N3 O6 | SMILES: | O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4C(=O)NC5)Cc6ccccc6 | InChi: | InChI=1S/C35H37N3O6/c39-31(30(17-23-9-3-1-4-10-23)38-34(42)44-25-15-16-43-22-25)19-35(18-24-11-5-2-6-12-24)32(40)29(21-37-35)28-20-36-33(41)27-14-8-7-13-26(27)28/h1-14,21,25,28,30-31,37,39H,15-20,22H2,(H,36,41)(H,38,42)/t25-,28+,30-,31-,35-/m0/s1 | 別名: | LDC271 INHIBITOR | 定義日: | 2003-01-22 | 最終更新日: | 2020-06-17 | 識別子(ID): | (3S)-tetrahydrofuran-3-yl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-3-oxo-4-[(4R)-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate |
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![5PX 5PX](https://data.pdbj.org/pdbjplus/data/cc/svg/5PX.svg) | 5PX | 表記: | 4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide | 組成式: | C10 H12 N2 O3 S | SMILES: | Oc1ccc2N(CN[S](=O)(=O)c2c1)C3CC3 | InChi: | InChI=1S/C10H12N2O3S/c13-8-3-4-9-10(5-8)16(14,15)11-6-12(9)7-1-2-7/h3-5,7,11,13H,1-2,6H2 | 別名: | BPAM-521 | 定義日: | 2015-11-05 | 最終更新日: | 2020-06-17 | 公開日: | 2016-05-04 | 識別子(ID): | 4-cyclopropyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},2,4-benzothiadiazin-7-ol |
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![L34 L34](https://data.pdbj.org/pdbjplus/data/cc/svg/L34.svg) | L34 | 表記: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI
C ACID | 組成式: | C20 H21 N7 O7 | SMILES: | O=C(O)C(NC(=O)c4ccc(N3C(=O)N2c1c(nc(nc1O)N)NCC2C3)cc4)CCC(=O)O | InChi: | InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1 | 別名: | LY345899 | 定義日: | 1999-12-15 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-({4-[(6aR)-3-amino-1-hydroxy-9-oxo-5,6,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid |
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![5R7 5R7](https://data.pdbj.org/pdbjplus/data/cc/svg/5R7.svg) | 5R7 | 表記: | (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)meth
yl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid | 組成式: | C15 H26 N4 O6 S2 | SMILES: | CC(O)C(C=O)C2N=C(C(O)=O)C(SC1CNC(CNS(N)(=O)=O)C1)C2C | InChi: | InChI=1S/C15H26N4O6S2/c1-7-12(11(6-20)8(2)21)19-13(15(22)23)14(7)26-10-3-9(17-5-10)4-18-27(16,24)25/h6-12,14,17-18,21H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t7-,8-,9+,10+,11-,12-,14-/m1/s1 | 別名: | Doripenem(open form, pyrroline tautomer form 3, SP3 connection to Thio as R isomer) | 定義日: | 2015-11-16 | 最終更新日: | 2020-06-17 | 公開日: | 2015-11-25 | 識別子(ID): | (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid |
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![L4A L4A](https://data.pdbj.org/pdbjplus/data/cc/svg/L4A.svg) | L4A | 表記: | 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid | 組成式: | C8 H11 N O5 | SMILES: | c1(oc(c(n1)C(=O)O)CCO)CCO | InChi: | InChI=1S/C8H11NO5/c10-3-1-5-7(8(12)13)9-6(14-5)2-4-11/h10-11H,1-4H2,(H,12,13) | 別名: | Clavulanic Acid, opened form | 定義日: | 2019-02-06 | 最終更新日: | 2020-06-17 | 公開日: | 2019-12-11 | 識別子(ID): | 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid |
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![5S7 5S7](https://data.pdbj.org/pdbjplus/data/cc/svg/5S7.svg) | 5S7 | 表記: | (2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol | 組成式: | C11 H16 N6 O3 S | SMILES: | CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(N)nc23 | InChi: | InChI=1S/C11H16N6O3S/c1-21-2-4-6(18)7(19)10(20-4)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1 | 別名: | 2-amino-5'-deoxy-5'-(methylthio)adenosine | 定義日: | 2015-11-19 | 最終更新日: | 2020-06-17 | 公開日: | 2016-12-21 | 識別子(ID): | (2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol |
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![L7A L7A](https://data.pdbj.org/pdbjplus/data/cc/svg/L7A.svg) | L7A | 表記: | N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide | 組成式: | C17 H13 N3 O2 | SMILES: | O=C2C(NC(=O)c1ccccc1)=CC(=CN2)c3ccncc3 | InChi: | InChI=1S/C17H13N3O2/c21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H,20,21) | 別名: | 3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one | 定義日: | 2011-05-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide |
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![5VC 5VC](https://data.pdbj.org/pdbjplus/data/cc/svg/5VC.svg) | 5VC | 表記: | 4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid | 組成式: | C22 H21 Cl F N3 O3 S | SMILES: | OC(=O)[C]1(CC[CH](CC1)Oc2cccc(Cl)c2F)Cc3cccc(Nc4sccn4)n3 | InChi: | InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22- | 別名: | MK-5108 | 定義日: | 2015-12-08 | 最終更新日: | 2020-06-17 | 公開日: | 2016-01-20 | 識別子(ID): | 4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid |
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![HXL HXL](https://data.pdbj.org/pdbjplus/data/cc/svg/HXL.svg) | HXL | 表記: | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | 組成式: | C21 H18 N6 O | SMILES: | [N@H]=C(N)c4ccc(Oc3ccc(c2nc1cc(ccc1n2)C(=[N@H])N)cc3)cc4 | InChi: | InChI=1S/C21H18N6O/c22-19(23)12-1-6-15(7-2-12)28-16-8-3-13(4-9-16)21-26-17-10-5-14(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27) | 別名: | 2-(4-{4-[AMINO(IMINO)METHYL]PHENOXY}PHENYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | 定義日: | 2006-01-11 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-benzimidazole-5-carboximidamide |
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![5VW 5VW](https://data.pdbj.org/pdbjplus/data/cc/svg/5VW.svg) | 5VW | 表記: | [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate | 組成式: | C11 H20 N4 O7 S | SMILES: | O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NO[CH]2CCNC2 | InChi: | InChI=1S/C11H20N4O7S/c16-7-15-6-8(13-22-23(18,19)20)1-2-10(15)11(17)14-21-9-3-4-12-5-9/h7-10,12-13H,1-6H2,(H,14,17)(H,18,19,20)/t8-,9+,10+/m1/s1 | 別名: | FPI-1465, bound form | 定義日: | 2015-12-14 | 最終更新日: | 2020-06-17 | 公開日: | 2016-01-20 | 識別子(ID): | [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate |
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![HXX HXX](https://data.pdbj.org/pdbjplus/data/cc/svg/HXX.svg) | HXX | 表記: | 3,6-dichloro-2-hydroxybenzoic acid | 組成式: | C7 H4 Cl2 O3 | SMILES: | Clc1ccc(Cl)c(C(=O)O)c1O | InChi: | InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12) | 別名: | 3,6 dichlorosalicylic acid | 定義日: | 2009-03-13 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3,6-dichloro-2-hydroxybenzoic acid |
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![HY0 HY0](https://data.pdbj.org/pdbjplus/data/cc/svg/HY0.svg) | HY0 | 表記: | HYGROMYCIN B VARIANT | 組成式: | C20 H37 N3 O13 | SMILES: | O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO | InChi: | InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1 | 別名: | (2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-azanyl-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)
-1-azanyl-2-hydroxy-ethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',
7-tetrol | 定義日: | 2010-11-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name) |
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![5W3 5W3](https://data.pdbj.org/pdbjplus/data/cc/svg/5W3.svg) | 5W3 | 表記: | ~{N}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethy
l]ethanamide | 組成式: | C20 H25 Cl N6 O5 S | SMILES: | COc1ccc(cc1[S](=O)(=O)NCCO)c2n3nc(Cl)cc(NCCNC(C)=O)c3nc2C | InChi: | InChI=1S/C20H25ClN6O5S/c1-12-19(14-4-5-16(32-3)17(10-14)33(30,31)24-8-9-28)27-20(25-12)15(11-18(21)26-27)23-7-6-22-13(2)29/h4-5,10-11,23-24,28H,6-9H2,1-3H3,(H,22,29) | 別名: | MI364 | 定義日: | 2015-12-14 | 最終更新日: | 2020-06-17 | 公開日: | 2016-12-28 | 識別子(ID): | ~{N}-[2-[[6-chloranyl-3-[3-(2-hydroxyethylsulfamoyl)-4-methoxy-phenyl]-2-methyl-imidazo[1,2-b]pyridazin-8-yl]amino]ethyl]ethanamide |
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