![ZPH ZPH](https://data.pdbj.org/pdbjplus/data/cc/svg/ZPH.svg) | ZPH | 表記: | methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate | 組成式: | C15 H24 N O5 P | SMILES: | O=C(OC)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1 | InChi: | InChI=1S/C15H24NO5P/c1-11(2)9-14(16)22(18,19)21-13(15(17)20-3)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,16H2,1-3H3,(H,18,19)/t13-,14+/m0/s1 | 別名: | LP(0)PHEOMe | 定義日: | 2010-10-22 | 最終更新日: | 2021-03-01 | 識別子(ID): | methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate |
|
![ZPR ZPR](https://data.pdbj.org/pdbjplus/data/cc/svg/ZPR.svg) | ZPR | 表記: | N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL | 組成式: | C18 H22 N2 O4 | SMILES: | O=C(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3 | InChi: | InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1 | 別名: | Z-PRO-PROLINAL | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | benzyl (2S)-2-{[(2S)-2-formylpyrrolidin-1-yl]carbonyl}pyrrolidine-1-carboxylate |
|
![QV8 QV8](https://data.pdbj.org/pdbjplus/data/cc/svg/QV8.svg) | QV8 | 表記: | 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid | 組成式: | C20 H13 N O5 S | SMILES: | O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(c3)Nc4ccccc4 | InChi: | InChI=1S/C20H13NO5S/c22-19-14-8-4-5-9-15(14)20(23)18-16(19)10-13(27(24,25)26)11-17(18)21-12-6-2-1-3-7-12/h1-11,21H,(H,24,25,26) | 別名: | Acid blue 25 | 定義日: | 2011-03-04 | 最終更新日: | 2021-03-01 | 識別子(ID): | 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid |
|
![KBF KBF](https://data.pdbj.org/pdbjplus/data/cc/svg/KBF.svg) | KBF | 表記: | 3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide | 組成式: | C16 H17 N O3 | SMILES: | Oc1cc2ccccc2cc1C(=O)NC[CH]3CCCO3 | InChi: | InChI=1S/C16H17NO3/c18-15-9-12-5-2-1-4-11(12)8-14(15)16(19)17-10-13-6-3-7-20-13/h1-2,4-5,8-9,13,18H,3,6-7,10H2,(H,17,19)/t13-/m1/s1 | 別名: | 3-hydroxy-N-(tetrahydrofuran-2-ylmethyl)naphthalene-2-carboxamide | 定義日: | 2018-02-22 | 最終更新日: | 2021-03-01 | 公開日: | 2018-09-12 | 識別子(ID): | 3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide |
|
![SWH SWH](https://data.pdbj.org/pdbjplus/data/cc/svg/SWH.svg) | SWH | 表記: | {4-[(4-{(Z)-[3-(4-FLUOROBENZYL)-2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)METHYL]PHENYL}(TRIHYDROXY)BORATE(1-) | 組成式: | C24 H20 B F N O6 S | SMILES: | O=C1S/C(C(=O)N1Cc2ccc(F)cc2)=Cc4ccc(OCc3ccc(cc3)[B-](O)(O)O)cc4 | InChi: | InChI=1S/C24H20BFNO6S/c26-20-9-3-17(4-10-20)14-27-23(28)22(34-24(27)29)13-16-5-11-21(12-6-16)33-15-18-1-7-19(8-2-18)25(30,31)32/h1-13,30-32H,14-15H2/q-1/b22-13- | 別名: | HA155 INHIBITOR | 定義日: | 2010-09-14 | 最終更新日: | 2021-03-01 | 識別子(ID): | {4-[(4-{(Z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-) |
|
![WR7 WR7](https://data.pdbj.org/pdbjplus/data/cc/svg/WR7.svg) | WR7 | 表記: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate | 組成式: | C13 H14 Cl3 N7 O4 | SMILES: | ClC(Cl)(Cl)C(Nc1ncccn1)NC(=O)OCCn2c(cnc2C)[N+]([O-])=O | InChi: | InChI=1S/C13H14Cl3N7O4/c1-8-19-7-9(23(25)26)22(8)5-6-27-12(24)21-10(13(14,15)16)20-11-17-3-2-4-18-11/h2-4,7,10H,5-6H2,1H3,(H,21,24)(H,17,18,20)/t10-/m1/s1 | 別名: | apcin | 定義日: | 2013-10-22 | 最終更新日: | 2021-03-01 | 公開日: | 2014-08-20 | 識別子(ID): | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate |
|
![QVV QVV](https://data.pdbj.org/pdbjplus/data/cc/svg/QVV.svg) | QVV | 表記: | benzyl [2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate | 組成式: | C23 H25 N9 O5 | SMILES: | CC(C)(NC(OCc1ccccc1)=O)C2=NC(=C(C(N2)=O)O)C(NCCn4c3ncnc(c3nc4)N)=O | InChi: | InChI=1S/C23H25N9O5/c1-23(2,31-22(36)37-10-13-6-4-3-5-7-13)21-29-14(16(33)20(35)30-21)19(34)25-8-9-32-12-28-15-17(24)26-11-27-18(15)32/h3-7,11-12,33H,8-10H2,1-2H3,(H,25,34)(H,31,36)(H2,24,26,27)(H,29,30,35) | 別名: | SJ000988248 | 定義日: | 2020-01-02 | 最終更新日: | 2021-03-01 | 公開日: | 2021-02-10 | 識別子(ID): | benzyl [2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate |
|
![Z70 Z70](https://data.pdbj.org/pdbjplus/data/cc/svg/Z70.svg) | Z70 | 表記: | (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid | 組成式: | C7 H12 N4 O2 | SMILES: | O=C(O)C(N)CCc1cnc(N)n1 | InChi: | InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1 | 別名: | 2-aminohomohistidine | 定義日: | 2010-04-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid |
|
![L69 L69](https://data.pdbj.org/pdbjplus/data/cc/svg/L69.svg) | L69 | 表記: | [1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid | 組成式: | C8 H12 O8 P2 | SMILES: | CC(Oc1ccc(O)cc1)([P](O)(O)=O)[P](O)(O)=O | InChi: | InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15) | 別名: | L-690330 | 定義日: | 2018-05-16 | 最終更新日: | 2021-03-01 | 公開日: | 2018-10-17 | 識別子(ID): | [1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid |
|
![GZR GZR](https://data.pdbj.org/pdbjplus/data/cc/svg/GZR.svg) | GZR | 表記: | 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one | 組成式: | C25 H26 F N3 O2 | SMILES: | COc1cc(ccc1n2cnc(C)c2)C=C3CCCN([CH](C)c4ccc(F)cc4)C3=O | InChi: | InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1 | 別名: | E-2012 | 定義日: | 2020-10-15 | 最終更新日: | 2021-03-01 | 公開日: | 2021-01-27 | 識別子(ID): | 1-[(1~{S})-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one |
|
![Z Z](https://data.pdbj.org/pdbjplus/data/cc/svg/Z.svg) | Z | 表記: | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE | 組成式: | C9 H13 N2 O7 P | SMILES: | O=C1N=CC=CN1C2OC(C(O)C2)COP(=O)(O)O | InChi: | InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1 | 別名: | 2'-DEOXYZEBULARINE-5'-MONOPHOSPHATE | 定義日: | 2002-09-09 | 最終更新日: | 2021-03-01 | 識別子(ID): | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one |
|
![NZZ NZZ](https://data.pdbj.org/pdbjplus/data/cc/svg/NZZ.svg) | NZZ | 表記: | (2Z)-3,7-dimethylocta-2,6-dien-1-ol | 組成式: | C10 H18 O | SMILES: | C/C(C)=C/CCC(C)=[C@H]CO | InChi: | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- | 別名: | nerol | 定義日: | 2019-06-27 | 最終更新日: | 2021-03-01 | 公開日: | 2020-07-01 | 識別子(ID): | (2Z)-3,7-dimethylocta-2,6-dien-1-ol |
|
![N7I N7I](https://data.pdbj.org/pdbjplus/data/cc/svg/N7I.svg) | N7I | 表記: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol | 組成式: | C10 H12 O3 | SMILES: | Oc1ccc(cc1OC)/C=C/CO | InChi: | InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+ | 別名: | Coniferyl alcohol | 定義日: | 2010-06-02 | 最終更新日: | 2021-03-01 | 公開日: | 2012-08-24 | 識別子(ID): | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol |
|
![VTG VTG](https://data.pdbj.org/pdbjplus/data/cc/svg/VTG.svg) | VTG | 表記: | (4-methylphenyl)methanol | 組成式: | C8 H10 O | SMILES: | c1(ccc(cc1)C)CO | InChi: | InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3 | 別名: | 4-methylbenzyl alcohol | 定義日: | 2020-09-11 | 最終更新日: | 2021-03-01 | 公開日: | 2020-09-23 | 識別子(ID): | (4-methylphenyl)methanol |
|
![X8W X8W](https://data.pdbj.org/pdbjplus/data/cc/svg/X8W.svg) | X8W | 表記: | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one | 組成式: | C15 H12 O5 | SMILES: | O=C(c1c(O)cc(O)cc1O)C=Cc2ccc(O)cc2 | InChi: | InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H | 別名: | NARINGENIN CHALCONE | 定義日: | 2014-04-24 | 最終更新日: | 2021-03-01 | 公開日: | 2015-04-08 | 識別子(ID): | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
|
![N7P N7P](https://data.pdbj.org/pdbjplus/data/cc/svg/N7P.svg) | N7P | 表記: | 1-ACETYL-L-PROLINE | 組成式: | C7 H11 N O3 | SMILES: | OC(=O)C1N(C(=O)C)CCC1 | InChi: | InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1 | 別名: | N-ACETYLPROLINE | 定義日: | 2003-02-21 | 最終更新日: | 2021-03-01 | 識別子(ID): | 1-acetyl-L-proline |
|
![MEM MEM](https://data.pdbj.org/pdbjplus/data/cc/svg/MEM.svg) | MEM | 表記: | (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | 組成式: | C17 H25 N3 O5 S | SMILES: | O=C(N(C)C)C3NCC(SC2=C(C(=O)O)N1C(=O)C(C(O)C)C1C2C)C3 | InChi: | InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1 | 別名: | Meropenem (closed form) | 定義日: | 2012-04-30 | 最終更新日: | 2021-03-01 | 識別子(ID): | (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
|
![YOL YOL](https://data.pdbj.org/pdbjplus/data/cc/svg/YOL.svg) | YOL | 表記: | [[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON | 組成式: | C21 H14 Fe N2 O4 | SMILES: | O=C(O)c6ccc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)c6 | InChi: | InChI=1S/C21H16N2O4.Fe/c24-19-7-3-1-5-15(19)12-22-17-10-9-14(21(26)27)11-18(17)23-13-16-6-2-4-8-20(16)25 | 別名: | SALOPHEN-10-CARBOXYLATE IRON CHELATE | 定義日: | 2005-03-09 | 最終更新日: | 2021-03-01 | 識別子(ID): | [3,4-bis({[2-(hydroxy-kappaO)phenyl]methylidene}amino-kappaN)benzoato(2-)]iron(2+) |
|
![WA1 WA1](https://data.pdbj.org/pdbjplus/data/cc/svg/WA1.svg) | WA1 | 表記: | 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea | 組成式: | C9 H8 N4 O S | SMILES: | O=C(Nc1ccccc1)Nc2snnc2 | InChi: | InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14) | 別名: | THIDIAZURON | 定義日: | 2011-07-29 | 最終更新日: | 2021-03-01 | 識別子(ID): | 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea |
|
![YOM YOM](https://data.pdbj.org/pdbjplus/data/cc/svg/YOM.svg) | YOM | 表記: | 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON | 組成式: | C20 H14 Fe N2 O2 | SMILES: | O1c6c(C=[N+]2c5c([N+]3=Cc4ccccc4O[Fe]123)cccc5)cccc6 | InChi: | InChI=1S/C20H16N2O2.Fe/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24 | 別名: | SALOPHEN IRON CHELATE | 定義日: | 2005-03-15 | 最終更新日: | 2021-03-01 | 識別子(ID): | [2,2'-{benzene-1,2-diylbis[(nitrilo-kappaN)methylylidene]}diphenolato(2-)-kappaO]iron(2+) |
|
![WSK WSK](https://data.pdbj.org/pdbjplus/data/cc/svg/WSK.svg) | WSK | 表記: | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL | 組成式: | C17 H18 Br2 N2 O | SMILES: | Brc3cc2c1cc(Br)ccc1n(c2cc3)CC(O)CN(C)C | InChi: | InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1 | 別名: | (S)-WISKOSTATIN | 定義日: | 2004-06-01 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol |
|
![XPG XPG](https://data.pdbj.org/pdbjplus/data/cc/svg/XPG.svg) | XPG | 表記: | 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid | 組成式: | C20 H34 O5 | SMILES: | O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC | InChi: | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1 | 別名: | Prostaglandin E1 | 定義日: | 2013-09-17 | 最終更新日: | 2021-03-01 | 公開日: | 2014-09-10 | 識別子(ID): | (11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid |
|
![WAD WAD](https://data.pdbj.org/pdbjplus/data/cc/svg/WAD.svg) | WAD | 表記: | (10R)-10-hydroxyoctadecanoic acid | 組成式: | C18 H36 O3 | SMILES: | C(CCCCC(CCCCCCCCC(O)=O)O)CCC | InChi: | InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1 | 別名: | (R)-10-Hydroxystearic acid | 定義日: | 2020-10-05 | 最終更新日: | 2021-03-01 | 公開日: | 2021-01-06 | 識別子(ID): | (10R)-10-hydroxyoctadecanoic acid |
|
![L7O L7O](https://data.pdbj.org/pdbjplus/data/cc/svg/L7O.svg) | L7O | 表記: | N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide | 組成式: | C22 H24 N6 O2 | SMILES: | O=C2NC=C(c1nc(ncc1)NC)C=C2NC(=O)c3ccc(cc3)N4CCCCC4 | InChi: | InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27) | 別名: | 3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylamino)pyrimidin-4-yl)-(1H)-pyridin-2-one | 定義日: | 2011-05-26 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide |
|
![S4E S4E](https://data.pdbj.org/pdbjplus/data/cc/svg/S4E.svg) | S4E | 表記: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine | 組成式: | C24 H30 N6 O3 | SMILES: | COc1cc2ncnc(Nc3cnc(OCCC4CC4)nc3)c2cc1OCC5CCNCC5 | InChi: | InChI=1S/C24H30N6O3/c1-31-21-11-20-19(10-22(21)33-14-17-4-7-25-8-5-17)23(29-15-28-20)30-18-12-26-24(27-13-18)32-9-6-16-2-3-16/h10-13,15-17,25H,2-9,14H2,1H3,(H,28,29,30) | 別名: | ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine | 定義日: | 2020-11-06 | 最終更新日: | 2021-03-01 | 公開日: | 2021-03-03 | 識別子(ID): | ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine |
|