![ESR ESR](https://data.pdbj.org/pdbjplus/data/cc/svg/ESR.svg) | ESR | 表記: | 5-ALPHA-ESTRAN-3,17-DIONE | 組成式: | C18 H26 O2 | SMILES: | O=C4CC3CCC2C1CCC(=O)C1(C)CCC2C3CC4 | InChi: | InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11-,13-,14+,15+,16-,18-/m0/s1 | 別名: | (13S)-13-METHYLDODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17(2H,4H)-DIONE | 定義日: | 2003-05-29 | 最終更新日: | 2020-06-17 | 識別子(ID): | (5beta,9beta,10alpha,13alpha,14beta)-estrane-3,17-dione |
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![4JF 4JF](https://data.pdbj.org/pdbjplus/data/cc/svg/4JF.svg) | 4JF | 表記: | (1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11
'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino
-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside | 組成式: | C68 H90 N6 O24 | SMILES: | c2c(c1C(C=%12C(C(c1c(c2)O)=O)=C4C(C(OC3OC(C(C(C3)O)N(C)C)C)C(C(C4=O)C5C(=O)C=8C(C(C5(CC)OC6CC(OC)C(C(C)O6)O)OC7CC(C(C(O7)C)N(C)C)O)=C(C9C=8C(=O)C%10C(=CCC(=C%10C9=O)O)O)NN)(CC)OC%11OC(C)C(C(C%11)OC)O)C=%12NN)=O)O | InChi: | InChI=1S/C68H90N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-17,23-26,31-38,40,48-49,51-52,55-58,65-66,71-72,75-82H,13-14,18-22,69-70H2,1-12H3/t23-,24-,25-,26-,31-,32-,33-,34-,35+,36+,37-,38-,40-,48+,49-,51-,52-,55-,56-,57-,58-,65+,66+,67-,68-/m0/s1 | 別名: | Lomaiviticin A | 定義日: | 2016-03-18 | 最終更新日: | 2020-06-17 | 公開日: | 2016-06-01 | 識別子(ID): | (1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside |
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![ET9 ET9](https://data.pdbj.org/pdbjplus/data/cc/svg/ET9.svg) | ET9 | 表記: | [[(1R,3S,5S)-3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory
l] phosphono hydrogen phosphate | 組成式: | C12 H18 N5 O12 P3 | SMILES: | NC1=NC(=O)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C3=C)c2N1 | InChi: | InChI=1S/C12H18N5O12P3/c1-5-6(3-27-31(23,24)29-32(25,26)28-30(20,21)22)8(18)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)19/h4,6-8,18H,1-3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t6-,7-,8-/m0/s1 | 別名: | Entecavir 5'-triphosphate | 定義日: | 2017-05-30 | 最終更新日: | 2020-06-17 | 公開日: | 2018-02-07 | 識別子(ID): | [[(1~{R},3~{S},5~{S})-3-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![4JS 4JS](https://data.pdbj.org/pdbjplus/data/cc/svg/4JS.svg) | 4JS | 表記: | N-(quinolin-3-yl)propanamide | 組成式: | C12 H12 N2 O | SMILES: | n1c2ccccc2cc(c1)NC(CC)=O | InChi: | InChI=1S/C12H12N2O/c1-2-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3,(H,14,15) | 別名: | N-(quinolin-3-yl)prop-2-enamide, bound form | 定義日: | 2015-03-23 | 最終更新日: | 2020-06-17 | 公開日: | 2015-08-12 | 識別子(ID): | N-(quinolin-3-yl)propanamide |
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![ETV ETV](https://data.pdbj.org/pdbjplus/data/cc/svg/ETV.svg) | ETV | 表記: | 4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE | 組成式: | C8 H10 F N3 O3 S | SMILES: | FC=1C(=NC(=O)N(C=1)C2OC(SC2)CO)N | InChi: | InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1 | 別名: | 5-FLUORO-(-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE | 定義日: | 2006-10-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one |
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![4KL 4KL](https://data.pdbj.org/pdbjplus/data/cc/svg/4KL.svg) | 4KL | 表記: | Xanthuric acid | 組成式: | C10 H7 N O4 | SMILES: | Oc1cc(C(O)=O)nc2c1cccc2O | InChi: | InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) | 別名: | Xanthurenate | 定義日: | 2015-03-31 | 最終更新日: | 2020-06-17 | 公開日: | 2015-11-18 | 識別子(ID): | 4,8-dihydroxyquinoline-2-carboxylic acid |
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![4KO 4KO](https://data.pdbj.org/pdbjplus/data/cc/svg/4KO.svg) | 4KO | 表記: | (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia
-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 組成式: | C15 H17 N7 O5 S3 | SMILES: | N#CCSCC(=O)NC3(OC)C(=O)N2C(=C(CSc1nnnn1C)CSC23)C(=O)O | InChi: | InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1 | 別名: | Cefmetazole | 定義日: | 2013-05-13 | 最終更新日: | 2020-06-17 | 公開日: | 2013-06-05 | 識別子(ID): | (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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![4KR 4KR](https://data.pdbj.org/pdbjplus/data/cc/svg/4KR.svg) | 4KR | 表記: | 7-aminocephalosporanic acid | 組成式: | C10 H12 N2 O5 S | SMILES: | O=C(O)C=1N2C(=O)C(N)C2SCC=1COC(=O)C | InChi: | InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1 | 別名: | (6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 定義日: | 2013-05-29 | 最終更新日: | 2020-06-17 | 公開日: | 2013-06-05 | 識別子(ID): | (6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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![4LS 4LS](https://data.pdbj.org/pdbjplus/data/cc/svg/4LS.svg) | 4LS | 表記: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono
-D-ribitol | 組成式: | C22 H31 N4 O9 P | SMILES: | C=12N(c3c(N(CC(C(C(COP(=O)(O)O)O)O)O)C=1NC(=O)NC2=O)cc(C)c(C)c3)CC=C(/C)C | InChi: | InChI=1S/C22H31N4O9P/c1-11(2)5-6-25-14-7-12(3)13(4)8-15(14)26(20-18(25)21(30)24-22(31)23-20)9-16(27)19(29)17(28)10-35-36(32,33)34/h5,7-8,16-17,19,27-29H,6,9-10H2,1-4H3,(H2,32,33,34)(H2,23,24,30,31)/t16-,17+,19-/m0/s1 | 別名: | dimethylallyl FMN | 定義日: | 2015-04-14 | 最終更新日: | 2020-06-17 | 公開日: | 2015-06-17 | 識別子(ID): | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
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![4LU 4LU](https://data.pdbj.org/pdbjplus/data/cc/svg/4LU.svg) | 4LU | 表記: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y
l)-D-ribitol | 組成式: | C22 H30 N4 O9 P | SMILES: | c1c3c4c(c(c1C)C)C(C)(CC=[N+]4C2=C(NC(NC2=O)=O)N3CC(C(C(O)COP(O)(O)=O)O)O)C | InChi: | InChI=1S/C22H29N4O9P/c1-10-7-12-16-15(11(10)2)22(3,4)5-6-25(16)17-19(23-21(31)24-20(17)30)26(12)8-13(27)18(29)14(28)9-35-36(32,33)34/h6-7,13-14,18,27-29H,5,8-9H2,1-4H3,(H3-,23,24,30,31,32,33,34)/p+1/t13-,14+,18-/m0/s1 | 別名: | prenylated-FMN iminium form | 定義日: | 2015-04-14 | 最終更新日: | 2020-06-17 | 公開日: | 2015-06-17 | 識別子(ID): | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-yl)-D-ribitol |
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![EVN EVN](https://data.pdbj.org/pdbjplus/data/cc/svg/EVN.svg) | EVN | 表記: | (2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'
R,7aS,7a'S)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}ox
y)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-
yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2R,4S,5R,
6S)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2H-pyran-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) | 組成式: | C70 H97 Cl2 N O38 | SMILES: | Cc1cc(O)cc(O)c1C(OC2COC4(C3C2OCO3)OC5C(O4)C(C(OC5)OC6C(OC)C(O)C(C(O6)COC)OC7C(O)C(C(C(O7)C)OC)OC8C(O)C9(C(C(O8)C)OC%10(O9)OC(C)C(C(C%10)O)OC%11OC(C)C(C(C%11)OC%12OC(C)C(C(C%12)(C)[N+]([O-])=O)OC)OC(c%13c(c(c(c(c%13C)Cl)O)Cl)OC)=O)C)O)=O | InChi: | InChI=1S/C70H97Cl2NO38/c1-24-15-31(74)16-32(75)40(24)61(82)100-36-22-94-70(60-53(36)92-23-93-60)108-37-21-91-63(46(79)52(37)109-70)106-65-56(89-13)45(78)51(35(101-65)20-86-10)104-64-47(80)55(50(87-11)27(4)97-64)105-66-57(81)68(9)59(30(7)98-66)110-69(111-68)18-33(76)48(28(5)107-69)102-38-17-34(99-39-19-67(8,73(84)85)58(90-14)29(6)96-39)49(26(3)95-38)103-62(83)41-25(2)42(71)44(77)43(72)54(41)88-12/h15-16,26-30,33-39,45-53,55-60,63-66,74-81H,17-23H2,1-14H3/t26-,27-,28-,29+,30-,33-,34-,35-,36-,37+,38+,39-,45+,46-,47-,48-,49-,50+,51-,52-,53+,55-,56+,57-,58+,59-,60-,63+,64+,65+,66+,67+,68-,69-,70-/m1/s1 | 別名: | Evernimicin | 定義日: | 2016-06-28 | 最終更新日: | 2020-06-17 | 公開日: | 2016-08-17 | 識別子(ID): | (2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,7R,7'R,7aS,7a'S)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2R,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2H-pyran-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name) |
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![EVP EVP](https://data.pdbj.org/pdbjplus/data/cc/svg/EVP.svg) | EVP | 表記: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol
-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside | 組成式: | C29 H32 O13 | SMILES: | O=C1OCC7C1C(c2cc(OC)c(O)c(OC)c2)c4cc3OCOc3cc4C7OC6OC5C(OC(OC5)C)C(O)C6O | InChi: | InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1 | 別名: | Etoposide | 定義日: | 2011-03-23 | 最終更新日: | 2020-06-17 | 識別子(ID): | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside |
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![EW1 EW1](https://data.pdbj.org/pdbjplus/data/cc/svg/EW1.svg) | EW1 | 表記: | [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl
)-1H-pyrrol-3-yl]methanone | 組成式: | C28 H37 N7 O | SMILES: | c65ncn(C1CN(C1)C(c4cn(CC2CCN(CC2)C3CCCCC=C3)cc4)=O)c5cc(nc6N)C | InChi: | InChI=1S/C28H37N7O/c1-20-14-25-26(27(29)31-20)30-19-35(25)24-17-34(18-24)28(36)22-10-11-32(16-22)15-21-8-12-33(13-9-21)23-6-4-2-3-5-7-23/h4,6,10-11,14,16,19,21,23-24H,2-3,5,7-9,12-13,15,17-18H2,1H3,(H2,29,31)/t23-/m0/s1 | 別名: | MTF1497 | 定義日: | 2018-02-05 | 最終更新日: | 2020-06-17 | 公開日: | 2018-03-14 | 識別子(ID): | [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)azetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone |
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![4MC 4MC](https://data.pdbj.org/pdbjplus/data/cc/svg/4MC.svg) | 4MC | 表記: | (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID
E | 組成式: | C29 H41 N7 O4 S | SMILES: | O=C(N1CCN(C)CC1)NC(C(=O)NC(/C=C/S(=O)(=O)c2ccccc2)CCc3ccccc3)CCCNC(=[N@H])N | InChi: | InChI=1S/C29H41N7O4S/c1-35-18-20-36(21-19-35)29(38)34-26(13-8-17-32-28(30)31)27(37)33-24(15-14-23-9-4-2-5-10-23)16-22-41(39,40)25-11-6-3-7-12-25/h2-7,9-12,16,22,24,26H,8,13-15,17-21H2,1H3,(H,33,37)(H,34,38)(H4,30,31,32)/b22-16+/t24-,26-/m0/s1 | 別名: | 4-METHYL-PIPERAZINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PHENETHYLALLYLCARBAMOYL)-4-GUANIDINO-BUTYL]-AMIDE | 定義日: | 2007-03-21 | 最終更新日: | 2020-06-17 | 識別子(ID): | N~2~-[(4-methylpiperazin-1-yl)carbonyl]-N-[(1S,2E)-1-(2-phenylethyl)-3-(phenylsulfonyl)prop-2-en-1-yl]-L-argininamide |
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![4MJ 4MJ](https://data.pdbj.org/pdbjplus/data/cc/svg/4MJ.svg) | 4MJ | 表記: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1
,8-fg]pteridin-7-yl]-D-ribitol | 組成式: | C30 H37 N4 O10 P | SMILES: | c2c5N(C=1NC(NC(C=1N3c5c(c(c2C)C)C(C)(CC3C(=O)Cc4ccccc4)C)=O)=O)CC(C(C(COP(O)(O)=O)O)O)O | InChi: | InChI=1S/C30H37N4O10P/c1-15-10-18-24-23(16(15)2)30(3,4)12-19(20(35)11-17-8-6-5-7-9-17)34(24)25-27(31-29(40)32-28(25)39)33(18)13-21(36)26(38)22(37)14-44-45(41,42)43/h5-10,19,21-22,26,36-38H,11-14H2,1-4H3,(H2,41,42,43)(H2,31,32,39,40)/t19-,21-,22+,26-/m0/s1 | 別名: | phenylpyruvate derived adduct to prenylated FMN cofactor | 定義日: | 2015-04-16 | 最終更新日: | 2020-06-17 | 公開日: | 2015-06-17 | 識別子(ID): | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1,8-fg]pteridin-7-yl]-D-ribitol |
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![4MS 4MS](https://data.pdbj.org/pdbjplus/data/cc/svg/4MS.svg) | 4MS | 表記: | N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis
othiazol-7-yl}methyl)methanesulfonamide | 組成式: | C24 H25 Cl F N3 O6 S2 | SMILES: | Fc1ccc(cc1Cl)CN4C(=O)C(C3=NS(=O)(=O)c2c(cccc23)CNS(=O)(=O)C)=C(O)C4C(C)(C)C | InChi: | InChI=1S/C24H25ClFN3O6S2/c1-24(2,3)22-20(30)18(23(31)29(22)12-13-8-9-17(26)16(25)10-13)19-15-7-5-6-14(11-27-36(4,32)33)21(15)37(34,35)28-19/h5-10,22,27,30H,11-12H2,1-4H3/t22-/m1/s1 | 別名: | N-{3-[5-tert-Butyl-1-(3-chloro-4-fluoro-benzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxo-1H-1lambda6-benzo
[d]isothiazol-7-ylmethyl}-methanesulfonamide | 定義日: | 2008-06-10 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide |
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![EWV EWV](https://data.pdbj.org/pdbjplus/data/cc/svg/EWV.svg) | EWV | 表記: | Epiberberine | 組成式: | C20 H18 N O4 | SMILES: | c2c5ccc1OCOc1c5c[n+]3CCc4c(c23)cc(c(c4)OC)OC | InChi: | InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 | 別名: | 8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium | 定義日: | 2018-02-08 | 最終更新日: | 2020-06-17 | 公開日: | 2018-06-20 | 識別子(ID): | 8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium |
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![EX7 EX7](https://data.pdbj.org/pdbjplus/data/cc/svg/EX7.svg) | EX7 | 表記: | 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol | 組成式: | C15 H13 Cl N2 O | SMILES: | c2c(c3nc(CCc1cc(ccc1)Cl)nc3cc2)O | InChi: | InChI=1S/C15H13ClN2O/c16-11-4-1-3-10(9-11)7-8-14-17-12-5-2-6-13(19)15(12)18-14/h1-6,9,19H,7-8H2,(H,17,18) | 別名: | 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol | 定義日: | 2018-02-08 | 最終更新日: | 2020-06-17 | 公開日: | 2018-03-14 | 識別子(ID): | 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol |
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![EXC EXC](https://data.pdbj.org/pdbjplus/data/cc/svg/EXC.svg) | EXC | 表記: | 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5'
:5,6][1,4]oxazino[2,3-f]isoindol-2(3H)-one radical | 組成式: | C21 H26 N4 O9 P | SMILES: | O=P(O)(O)OCC5OC(N4C(=O)N=C2C(Oc1cc3c(cc1N2)C(N(O)C3(C)C)(C)C)=C4)CC5O | InChi: | InChI=1S/C21H27N4O9P/c1-20(2)10-5-12-14(6-11(10)21(3,4)25(20)28)33-15-8-24(19(27)23-18(15)22-12)17-7-13(26)16(34-17)9-32-35(29,30)31/h5-6,8,13,16-17,26,28H,7,9H2,1-4H3,(H,22,23,27)(H2,29,30,31)/t13-,16+,17+/m0/s1 | 別名: | nitroxide spin-labeled nucleotide C-spin | 定義日: | 2010-10-19 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5':5,6][1,4]oxazino[2,3-f]isoindol-2(3H)-one |
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![EXX EXX](https://data.pdbj.org/pdbjplus/data/cc/svg/EXX.svg) | EXX | 表記: | 4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole | 組成式: | C12 H10 Br4 N2 O3 | SMILES: | Brc3c1c(ncn1C2OC(C(O)C2)CO)c(Br)c(Br)c3Br | InChi: | InChI=1S/C12H10Br4N2O3/c13-7-8(14)10(16)12-11(9(7)15)17-3-18(12)6-1-4(20)5(2-19)21-6/h3-6,19-20H,1-2H2/t4-,5+,6+/m0/s1 | 別名: | Tetrabromo-Deoxyribofuranosyl-Benzimidazole | 定義日: | 2013-05-30 | 最終更新日: | 2020-06-17 | 公開日: | 2014-04-09 | 識別子(ID): | 4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole |
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![4O6 4O6](https://data.pdbj.org/pdbjplus/data/cc/svg/4O6.svg) | 4O6 | 表記: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide | 組成式: | C19 H24 Cl N3 O5 S | SMILES: | O=C(N1CCOCC1)C(N3C(=O)C(NS(=O)(=O)C=Cc2ccc(Cl)cc2)CC3)C | InChi: | InChI=1S/C19H24ClN3O5S/c1-14(18(24)22-9-11-28-12-10-22)23-8-6-17(19(23)25)21-29(26,27)13-7-15-2-4-16(20)5-3-15/h2-5,7,13-14,17,21H,6,8-12H2,1H3/b13-7+/t14-,17-/m0/s1 | 別名: | GTC000406 | 定義日: | 2015-02-13 | 最終更新日: | 2020-06-17 | 公開日: | 2015-09-30 | 識別子(ID): | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide |
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![4O7 4O7](https://data.pdbj.org/pdbjplus/data/cc/svg/4O7.svg) | 4O7 | 表記: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1
5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol | 組成式: | C28 H30 N4 O3 | SMILES: | O1C2n6c4c3n(C1(C(C(C2)NC)OC)C)c8c(c3C7C(c4c5ccccc56)C(NC7)O)cccc8 | InChi: | InChI=1S/C28H30N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,16-17,20,23,26-27,29-30,33H,12-13H2,1-3H3/t16-,17-,20-,23-,26-,27-,28+/m1/s1 | 別名: | staurosporine | 定義日: | 2015-04-27 | 最終更新日: | 2020-06-17 | 公開日: | 2016-03-09 | 識別子(ID): | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol |
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![EY4 EY4](https://data.pdbj.org/pdbjplus/data/cc/svg/EY4.svg) | EY4 | 表記: | (3a,5a)-3-Hydroxypregnane-11,20-dione | 組成式: | C21 H32 O3 | SMILES: | C32(C4C(CC1(C(CCC1C4CCC2CC(CC3)O)C(=O)C)C)=O)C | InChi: | InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1 | 別名: | alphaxalone | 定義日: | 2018-02-12 | 最終更新日: | 2020-06-17 | 公開日: | 2018-08-22 | 識別子(ID): | (3beta,5alpha,8alpha,9beta,10alpha)-3-hydroxypregnane-11,20-dione |
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![4OX 4OX](https://data.pdbj.org/pdbjplus/data/cc/svg/4OX.svg) | 4OX | 表記: | 4-OXODECANEDIOIC ACID | 組成式: | C10 H16 O5 | SMILES: | O=C(O)CCC(=O)CCCCCC(=O)O | InChi: | InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15) | 別名: | 4-OXOSEBACIC ACID | 定義日: | 2001-08-01 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-oxodecanedioic acid |
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![4P4 4P4](https://data.pdbj.org/pdbjplus/data/cc/svg/4P4.svg) | 4P4 | 表記: | 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide | 組成式: | C22 H20 F N5 O2 | SMILES: | c1c(F)cccc1c5nc2c(c(cnc2N)C(NC4CN(C(=O)C3CC3)C4)=O)cc5 | InChi: | InChI=1S/C22H20FN5O2/c23-14-3-1-2-13(8-14)18-7-6-16-17(9-25-20(24)19(16)27-18)21(29)26-15-10-28(11-15)22(30)12-4-5-12/h1-3,6-9,12,15H,4-5,10-11H2,(H2,24,25)(H,26,29) | 別名: | GNE-495 | 定義日: | 2015-04-30 | 最終更新日: | 2020-06-17 | 公開日: | 2015-09-02 | 識別子(ID): | 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide |
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