![GEK GEK](https://data.pdbj.org/pdbjplus/data/cc/svg/GEK.svg) | GEK | 表記: | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio]
-2-ammoniobutanoate | 組成式: | C16 H22 N6 O7 S | SMILES: | [O-]C(=O)C[S+](CCC(C([O-])=O)[NH3+])CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C16H22N6O7S/c17-7(16(27)28)1-2-30(4-9(23)24)3-8-11(25)12(26)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,25-26H,1-4,17H2,(H3-,18,19,20,23,24,27,28)/t7-,8+,11+,12+,15+,30-/m0/s1 | 別名: | CARBOXY-S-ADENOSYLMETHIONINE | 定義日: | 2012-08-29 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio]-2-ammoniobutanoate |
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![GEM GEM](https://data.pdbj.org/pdbjplus/data/cc/svg/GEM.svg) | GEM | 表記: | (2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID | 組成式: | C7 H13 N3 O4 S | SMILES: | O=C(O)C(SCCNC(=[N@H])N)CC(=O)O | InChi: | InChI=1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1 | 別名: | 2-GUANIDINOETHYLTHIO)SUCCINIC ACID | 定義日: | 2001-02-12 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S)-2-[(2-carbamimidamidoethyl)sulfanyl]butanedioic acid |
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![GEO GEO](https://data.pdbj.org/pdbjplus/data/cc/svg/GEO.svg) | GEO | 表記: | GEMCITABINE | 組成式: | C9 H11 F2 N3 O4 | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2(F)F)CO | InChi: | InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1 | 別名: | 2',2'-DIFLUORODEOXYCYTIDINE | 定義日: | 2003-04-29 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2'-deoxy-2',2'-difluorocytidine |
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![IY1 IY1](https://data.pdbj.org/pdbjplus/data/cc/svg/IY1.svg) | IY1 | 表記: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile | 組成式: | C19 H12 N4 O3 | SMILES: | N#CC=2C(=O)N(c1ccc(cc1)[N+](=O)[O-])c3c(C=2)n(C)c4c3cccc4 | InChi: | InChI=1S/C19H12N4O3/c1-21-16-5-3-2-4-15(16)18-17(21)10-12(11-20)19(24)22(18)13-6-8-14(9-7-13)23(25)26/h2-10H,1H3 | 別名: | Indopy-1 | 定義日: | 2019-03-14 | 最終更新日: | 2020-06-17 | 公開日: | 2019-10-23 | 識別子(ID): | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile |
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![IYT IYT](https://data.pdbj.org/pdbjplus/data/cc/svg/IYT.svg) | IYT | 表記: | N-ALPHA-ACETYL-3,5-DIIODOTYROSYL-D-THREONINE | 組成式: | C15 H18 I2 N2 O6 | SMILES: | Ic1cc(cc(I)c1O)CC(C(=O)NC(C(=O)O)C(O)C)NC(=O)C | InChi: | InChI=1S/C15H18I2N2O6/c1-6(20)12(15(24)25)19-14(23)11(18-7(2)21)5-8-3-9(16)13(22)10(17)4-8/h3-4,6,11-12,20,22H,5H2,1-2H3,(H,18,21)(H,19,23)(H,24,25)/t6-,11+,12-/m1/s1 | 別名: | THREONINE DERIVATIVE | 定義日: | 2004-03-03 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-acetyl-3,5-diiodo-L-tyrosyl-D-allothreonine |
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![IZN IZN](https://data.pdbj.org/pdbjplus/data/cc/svg/IZN.svg) | IZN | 表記: | (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one | 組成式: | C16 H21 N O3 | SMILES: | O=C1OCC3=C(C1)C42C(=CCC(OC)C2)CCN4CC3 | InChi: | InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1 | 別名: | (2S,13bS)-2-Methoxy-2,3,5,6,8,9,10,13-octahydro-1H,12H-benzo[i]pyrano[3,4-g]indolizin-12-one | 定義日: | 2012-03-06 | 最終更新日: | 2020-06-17 | 公開日: | 2012-08-24 | 識別子(ID): | (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one |
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![J01 J01](https://data.pdbj.org/pdbjplus/data/cc/svg/J01.svg) | J01 | 表記: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID | 組成式: | C8 H9 N O5 | SMILES: | O=C2N1C(C(/OC1C2)=C/CO)C(=O)O | InChi: | InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1 | 別名: | CLAVULANIC ACID | 定義日: | 2006-11-29 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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![J0D J0D](https://data.pdbj.org/pdbjplus/data/cc/svg/J0D.svg) | J0D | 表記: | 1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium | 組成式: | C19 H17 N2 S | SMILES: | CN4c1ccccc1SC4=[C@H]c3c2c(cccc2)[n+](cc3)C | InChi: | InChI=1S/C19H17N2S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19/h3-13H,1-2H3/q+1 | 別名: | Thiazole orange | 定義日: | 2018-08-01 | 最終更新日: | 2020-06-17 | 公開日: | 2019-07-31 | 識別子(ID): | 1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium |
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![J0M J0M](https://data.pdbj.org/pdbjplus/data/cc/svg/J0M.svg) | J0M | 表記: | D-galactonic acid | 組成式: | C6 H12 O7 | SMILES: | C(C(C(C(CO)O)O)O)(O)C(O)=O | InChi: | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 | 別名: | D-galactonate | 定義日: | 2018-08-02 | 最終更新日: | 2020-06-17 | 公開日: | 2019-05-22 | 識別子(ID): | D-galactonic acid |
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![J11 J11](https://data.pdbj.org/pdbjplus/data/cc/svg/J11.svg) | J11 | 表記: | N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine | 組成式: | C21 H30 F N5 | SMILES: | Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C | InChi: | InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20-/m0/s1 | 別名: | N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
tetrahydrochloride | 定義日: | 2009-09-23 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine |
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![J2B J2B](https://data.pdbj.org/pdbjplus/data/cc/svg/J2B.svg) | J2B | 表記: | O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro
furan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (R)-phosphorothioate | 組成式: | C20 H28 N10 O12 P2 S2 | SMILES: | C3(C(C(n2c1c(C(N=C(N1)N)=O)nc2)OC3CO)OP(OCCC(C(C(n5c4c(c(ncn4)N)nc5)O)O)OP(=O)(O)S)(=O)S)O | InChi: | InChI=1S/C20H28N10O12P2S2/c21-14-9-15(24-4-23-14)29(5-25-9)18(35)12(33)7(41-43(36,37)45)1-2-39-44(38,46)42-13-11(32)8(3-31)40-19(13)30-6-26-10-16(30)27-20(22)28-17(10)34/h4-8,11-13,18-19,31-33,35H,1-3H2,(H,38,46)(H2,21,23,24)(H2,36,37,45)(H3,22,27,28,34)/t7-,8-,11-,12-,13-,18-,19-,44+/m1/s1 | 別名: | cleaved nonhydrolyzable phosphorothioate analog of 2'3' cyclic GMP-AMP | 定義日: | 2018-08-30 | 最終更新日: | 2020-06-17 | 公開日: | 2019-02-06 | 識別子(ID): | O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (R)-phosphorothioate (non-preferred name) |
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![WPG WPG](https://data.pdbj.org/pdbjplus/data/cc/svg/WPG.svg) | WPG | 表記: | (3-{(3R,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-[(2R)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy
l)phosphonic acid | 組成式: | C14 H22 N6 O10 P2 | SMILES: | c12c(C(=O)NC(N)=N1)ncn2C3C(OCC(P(=O)(O)O)O)CN(C3)C(=O)CCP(O)(O)=O | InChi: | InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10-/m1/s1 | 別名: | [3R,4R]-4-guanin-9-yl-3-((R)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine | 定義日: | 2016-01-14 | 最終更新日: | 2020-06-17 | 公開日: | 2017-12-06 | 識別子(ID): | (3-{(3R,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-[(2R)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid |
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![WPP WPP](https://data.pdbj.org/pdbjplus/data/cc/svg/WPP.svg) | WPP | 表記: | Piperacillin | 組成式: | C23 H27 N5 O7 S | SMILES: | O=C1C(=O)N(CC)CCN1C(=O)NC(c2ccccc2)C(=O)NC4C(=O)N3C(C(=O)O)C(SC34)(C)C | InChi: | InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1 | 別名: | (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thi
a-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | 定義日: | 2011-01-06 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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![WRA WRA](https://data.pdbj.org/pdbjplus/data/cc/svg/WRA.svg) | WRA | 表記: | 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE | 組成式: | C14 H18 Cl3 N5 O2 | SMILES: | Clc2cc(OCCCON1C(=NC(=NC1(C)C)N)N)c(Cl)cc2Cl | InChi: | InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21) | 別名: | 4,6-DIAMINO-1,2-DIHYDRO-2,2-DIMETHYL-1-[(2,4,5-TRICHLOROPHENOXY)PROPYLOXY]-1,3,5-TRIAZINE | 定義日: | 2003-02-07 | 最終更新日: | 2020-06-17 | 識別子(ID): | 6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine |
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![WRB WRB](https://data.pdbj.org/pdbjplus/data/cc/svg/WRB.svg) | WRB | 表記: | 1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE | 組成式: | C14 H20 Br N5 O2 | SMILES: | Brc2ccc(OCCCON1C(=NC(=NC1(C)C)N)N)cc2 | InChi: | InChI=1S/C14H20BrN5O2/c1-14(2)19-12(16)18-13(17)20(14)22-9-3-8-21-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H4,16,17,18,19) | 別名: | BROMO-WR99210 | 定義日: | 1999-11-29 | 最終更新日: | 2020-06-17 | 識別子(ID): | 1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine |
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![J71 J71](https://data.pdbj.org/pdbjplus/data/cc/svg/J71.svg) | J71 | 表記: | 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide | 組成式: | C12 H13 N5 O5 S | SMILES: | O=S(=O)(N)c1ccc(cc1)CNc2ncnc(OC)c2[N+]([O-])=O | InChi: | InChI=1S/C12H13N5O5S/c1-22-12-10(17(18)19)11(15-7-16-12)14-6-8-2-4-9(5-3-8)23(13,20)21/h2-5,7H,6H2,1H3,(H2,13,20,21)(H,14,15,16) | 別名: | 4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide | 定義日: | 2010-04-22 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide |
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![J76 J76](https://data.pdbj.org/pdbjplus/data/cc/svg/J76.svg) | J76 | 表記: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(4-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te
trahydro-2H-pyran-2-yl]oxy}octanamide | 組成式: | C33 H56 N2 O10 | SMILES: | CCCCCCCC(NC(COC1C(C(C(C(O1)CO)O)O)O)C(O)C(O)CCCC(=O)Nc2ccc(cc2)CCCCC)=O | InChi: | InChI=1S/C33H56N2O10/c1-3-5-7-8-10-14-28(39)35-24(21-44-33-32(43)31(42)30(41)26(20-36)45-33)29(40)25(37)13-11-15-27(38)34-23-18-16-22(17-19-23)12-9-6-4-2/h16-19,24-26,29-33,36-37,40-43H,3-15,20-21H2,1-2H3,(H,34,38)(H,35,39)/t24-,25+,26+,29-,30-,31-,32+,33-/m0/s1 | 別名: | aGSA[8,P5p] | 定義日: | 2018-01-19 | 最終更新日: | 2020-06-17 | 公開日: | 2019-01-30 | 識別子(ID): | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(4-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) |
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![J78 J78](https://data.pdbj.org/pdbjplus/data/cc/svg/J78.svg) | J78 | 表記: | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 組成式: | C22 H29 N3 O3 | SMILES: | O=C(OCC)c3ccc(OCCCC2CCN(c1nnc(cc1)C)CC2)cc3 | InChi: | InChI=1S/C22H29N3O3/c1-3-27-22(26)19-7-9-20(10-8-19)28-16-4-5-18-12-14-25(15-13-18)21-11-6-17(2)23-24-21/h6-11,18H,3-5,12-16H2,1-2H3 | 別名: | R78206 | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | ethyl 4-{3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy}benzoate |
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![JAN JAN](https://data.pdbj.org/pdbjplus/data/cc/svg/JAN.svg) | JAN | 表記: | 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE | 組成式: | C27 H22 Cl2 N4 O | SMILES: | Clc1cccc(c1)C=3c2cc(ccc2N(C(=O)C=3)C)C(N)(c4cncn4C)c5ccc(Cl)cc5 | InChi: | InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1 | 別名: | R115777 | 定義日: | 2004-02-18 | 最終更新日: | 2020-06-17 | 識別子(ID): | 6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one |
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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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![L00 L00](https://data.pdbj.org/pdbjplus/data/cc/svg/L00.svg) | L00 | 表記: | (2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid
in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine | 組成式: | C26 H35 Cl N6 O4 S | SMILES: | O=S(=O)(N(c2nc(N(CC1CC1C)CCOC)cc(c2Cl)c3nnc(o3)C(N)(C)Cc4ccccc4)C)C | InChi: | InChI=1S/C26H35ClN6O4S/c1-17-13-19(17)16-33(11-12-36-4)21-14-20(22(27)23(29-21)32(3)38(5,34)35)24-30-31-25(37-24)26(2,28)15-18-9-7-6-8-10-18/h6-10,14,17,19H,11-13,15-16,28H2,1-5H3/t17-,19+,26+/m0/s1 | 別名: | N-(4-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-3-CHLORO-6-[(2-METHOXYETHYL){[(1S,2S)-2-METHYLCYCLO
PROPYL]METHYL}AMINO]PYRIDIN-2-YL)-N-METHYLMETHANESULFONAMIDE | 定義日: | 2006-11-10 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-(4-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-3-chloro-6-[(2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino]pyridin-2-yl)-N-methylmethanesulfonamide |
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![L01 L01](https://data.pdbj.org/pdbjplus/data/cc/svg/L01.svg) | L01 | 表記: | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE | 組成式: | C32 H41 N3 O4 | SMILES: | O=C(N(CCC)CCC)c1cccc(c1)C(=O)NC(Cc2ccccc2)C(O)CNCc3cc(OC)ccc3 | InChi: | InChI=1S/C32H41N3O4/c1-4-17-35(18-5-2)32(38)27-15-10-14-26(21-27)31(37)34-29(20-24-11-7-6-8-12-24)30(36)23-33-22-25-13-9-16-28(19-25)39-3/h6-16,19,21,29-30,33,36H,4-5,17-18,20,22-23H2,1-3H3,(H,34,37)/t29-,30+/m0/s1 | 別名: | HYDROXYETHYLAMINE BACE INHIBITOR | 定義日: | 2006-10-19 | 最終更新日: | 2020-06-17 | 識別子(ID): | N'-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N,N-dipropylbenzene-1,3-dicarboxamide |
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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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![X04 X04](https://data.pdbj.org/pdbjplus/data/cc/svg/X04.svg) | X04 | 表記: | (2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | 組成式: | C8 H11 N2 O6 P | SMILES: | O=Cc1c(O)c(nc(N)c1COP(=O)(O)O)C | InChi: | InChI=1S/C8H11N2O6P/c1-4-7(12)5(2-11)6(8(9)10-4)3-16-17(13,14)15/h2,12H,3H2,1H3,(H2,9,10)(H2,13,14,15) | 別名: | 6-AMINO-PYRIDOXAL-5'-PHOSPHATE | 定義日: | 2003-10-27 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2-amino-4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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![X09 X09](https://data.pdbj.org/pdbjplus/data/cc/svg/X09.svg) | X09 | 表記: | AMINO-AUSTRALINE | 組成式: | C8 H16 N2 O3 | SMILES: | OC2C1N(C(C(O)C1O)CN)CC2 | InChi: | InChI=1S/C8H16N2O3/c9-3-4-7(12)8(13)6-5(11)1-2-10(4)6/h4-8,11-13H,1-3,9H2/t4-,5+,6-,7-,8-/m1/s1 | 別名: | (1R,2R,3R,7S,7AR)-3-(AMINOMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,7-TRIOL | 定義日: | 2009-12-07 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1R,2R,3R,7S,7aR)-3-(aminomethyl)hexahydro-1H-pyrrolizine-1,2,7-triol |
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