![0MU 0MU](https://data.pdbj.org/pdbjplus/data/cc/svg/0MU.svg) | 0MU | 表記: | (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | 組成式: | C16 H23 N3 O8 S | SMILES: | CC(=O)OC[CH]1CS[CH](N=C1C(O)=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C=O | InChi: | InChI=1S/C16H23N3O8S/c1-8(21)27-6-9-7-28-14(19-13(9)16(25)26)11(5-20)18-12(22)4-2-3-10(17)15(23)24/h5,9-11,14H,2-4,6-7,17H2,1H3,(H,18,22)(H,23,24)(H,25,26)/t9-,10+,11+,14+/m0/s1 | 別名: | CEPHALOSPORIN C, bound form | 定義日: | 2012-03-05 | 最終更新日: | 2021-03-13 | 公開日: | 2017-07-12 | 識別子(ID): | (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
![QQ4 QQ4](https://data.pdbj.org/pdbjplus/data/cc/svg/QQ4.svg) | QQ4 | 表記: | Hexa Vinylpyrrolidone K15 | 組成式: | C36 H56 N6 O6 | SMILES: | C(CC(CC(N1CCCC1=O)CC(N2C(CCC2)=O)CC(N3CCCC3=O)CC(C)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O | InChi: | InChI=1S/C36H56N6O6/c1-26(38-16-3-9-32(38)44)22-28(40-18-5-11-34(40)46)24-30(42-20-7-13-36(42)48)25-29(41-19-6-12-35(41)47)23-27(39-17-4-10-33(39)45)14-21-37-15-2-8-31(37)43/h26-30H,2-25H2,1H3/t26-,27-,28+,29-,30-/m1/s1 | 別名: | 1,1',1'',1''',1'''',1'''''-[(3R,5R,7R,9S,11R)-dodecane-1,3,5,7,9,11-hexayl]hexa(pyrrolidin-2-one) | 定義日: | 2019-12-06 | 最終更新日: | 2021-03-13 | 公開日: | 2020-12-09 | 識別子(ID): | 1,1',1'',1''',1'''',1'''''-[(3R,5R,7R,9S,11R)-dodecane-1,3,5,7,9,11-hexayl]hexa(pyrrolidin-2-one) |
|
![QQX QQX](https://data.pdbj.org/pdbjplus/data/cc/svg/QQX.svg) | QQX | 表記: | [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol | 組成式: | C10 H12 N5 O5 P S | SMILES: | S=P1(OC2C(OC(C2O1)CO)n3c4ncnc(N)c4nc3)O | InChi: | InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)18-10)19-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21+/m1/s1 | 別名: | ADENOSINE-2',3'-CYCLOPHOSPHOROTHIOATE | 定義日: | 2012-10-30 | 最終更新日: | 2021-03-13 | 公開日: | 2013-07-10 | 識別子(ID): | (2S,3aR,4R,6R,6aR)-4-(6-amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-sulfide |
|
![0QS 0QS](https://data.pdbj.org/pdbjplus/data/cc/svg/0QS.svg) | 0QS | 表記: | N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | 組成式: | C36 H56 F2 N7 O8 S | SMILES: | O=S(=O)(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NCCN2CCOCC2)Cc3[nH+]cnc3)Cc4ccccc4)C(C)(C)C | InChi: | InChI=1S/C36H55F2N7O8S/c1-34(2,3)54(51,52)44-29(20-25-10-6-4-7-11-25)32(47)42-28(22-27-23-39-24-41-27)31(46)43-30(21-26-12-8-5-9-13-26)36(49,50)35(37,38)33(48)40-14-15-45-16-18-53-19-17-45/h4,6-7,10-11,23-24,26,28-30,44,49-50H,5,8-9,12-22H2,1-3H3,(H,39,41)(H,40,48)(H,42,47)(H,43,46)/p+1/t28-,29-,30-/m0/s1 | 別名: | PD-135,040 | 定義日: | 2008-09-14 | 最終更新日: | 2021-03-13 | 識別子(ID): | N-(tert-butylsulfonyl)-L-phenylalanyl-N-[(2S)-1-cyclohexyl-4,4-difluoro-3,3-dihydroxy-5-{[2-(morpholin-4-yl)ethyl]amino}-5-oxopentan-2-yl]-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide |
|
![0RM 0RM](https://data.pdbj.org/pdbjplus/data/cc/svg/0RM.svg) | 0RM | 表記: | (2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | 組成式: | C17 H22 N2 O7 S | SMILES: | O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)c2c(OC)cccc2OC | InChi: | InChI=1S/C17H22N2O7S/c1-17(2)12(16(23)24)19-14(27-17)11(15(21)22)18-13(20)10-8(25-3)6-5-7-9(10)26-4/h5-7,11-12,14,19H,1-4H3,(H,18,20)(H,21,22)(H,23,24)/t11-,12-,14+/m0/s1 | 別名: | METHICILLIN, hydroxylated form | 定義日: | 2012-05-02 | 最終更新日: | 2021-03-13 | 識別子(ID): | (2R,4S)-2-{(R)-carboxy[(2,6-dimethoxybenzoyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
|
![2QO 2QO](https://data.pdbj.org/pdbjplus/data/cc/svg/2QO.svg) | 2QO | 表記: | (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid | 組成式: | C18 H16 O3 | SMILES: | O=C(O)C=Cc2ccc(O)c(c1cc(ccc1)CC=C)c2 | InChi: | InChI=1S/C18H16O3/c1-2-4-13-5-3-6-15(11-13)16-12-14(7-9-17(16)19)8-10-18(20)21/h2-3,5-12,19H,1,4H2,(H,20,21)/b10-8+ | 別名: | (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid | 定義日: | 2014-01-09 | 最終更新日: | 2021-03-13 | 公開日: | 2014-10-08 | 識別子(ID): | (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid |
|
![QXW QXW](https://data.pdbj.org/pdbjplus/data/cc/svg/QXW.svg) | QXW | 表記: | 5,6-dibromo-1H-triazolo[4,5-b]pyridine | 組成式: | C5 H2 Br2 N4 | SMILES: | Brc1cc2[nH]nnc2nc1Br | InChi: | InChI=1S/C5H2Br2N4/c6-2-1-3-5(8-4(2)7)10-11-9-3/h1H,(H,8,9,10,11) | 別名: | 5,6-bis(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine | 定義日: | 2020-08-19 | 最終更新日: | 2021-03-13 | 公開日: | 2020-12-09 | 識別子(ID): | 5,6-bis(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine |
|
![KGA KGA](https://data.pdbj.org/pdbjplus/data/cc/svg/KGA.svg) | KGA | 表記: | [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium | 組成式: | C24 H38 N8 O20 P3 | SMILES: | n1cnc2c(c1N)ncn2C3C(O)C(C(O3)COP(O)(=O)OP(OCC(C)(C(C(=O)NCCC(=O)NCCOC(C(=[N+]([O-])[O-])C)=O)O)C)(=O)O)OP(=O)(O)O | InChi: | InChI=1S/C24H38N8O20P3/c1-12(32(38)39)23(37)47-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-49-55(45,46)52-54(43,44)48-8-13-17(51-53(40,41)42)16(34)22(50-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-11,13,16-18,22,34-35H,4-9H2,1-3H3,(H8-,25,26,27,28,29,33,36,37,38,39,40,41,42,43,44,45,46)/q-1/t13-,16-,17-,18+,22-/m1/s1 | 別名: | 2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl 2-nitropropanoate | 定義日: | 2018-12-03 | 最終更新日: | 2021-03-13 | 公開日: | 2019-04-10 | 識別子(ID): | [(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-20-(dioxido-lambda~5~-azanylidene)-3,5,9-trihydroxy-8,8,20-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6,18-tetraoxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicos-1-yl]oxidanide (non-preferred name) |
|
![KGP KGP](https://data.pdbj.org/pdbjplus/data/cc/svg/KGP.svg) | KGP | 表記: | (2R)-sulfonatepropionyl-amino(dethia)-CoA | 組成式: | C24 H41 N8 O20 P3 S | SMILES: | O=P(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(NCCNC(=O)C(C)S(O)(=O)=O)=O)(=O)O)(O)O | InChi: | InChI=1S/C24H41N8O20P3S/c1-12(56(45,46)47)21(36)28-7-6-26-14(33)4-5-27-22(37)18(35)24(2,3)9-49-55(43,44)52-54(41,42)48-8-13-17(51-53(38,39)40)16(34)23(50-13)32-11-31-15-19(25)29-10-30-20(15)32/h10-13,16-18,23,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,37)(H,28,36)(H,41,42)(H,43,44)(H2,25,29,30)(H2,38,39,40)(H,45,46,47)/t12-,13-,16-,17-,18+,23-/m1/s1 | 別名: | (2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propane-2-sulfonic acid | 定義日: | 2018-12-03 | 最終更新日: | 2021-03-13 | 公開日: | 2019-04-10 | 識別子(ID): | (3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15,18-triaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name) |
|
![2U8 2U8](https://data.pdbj.org/pdbjplus/data/cc/svg/2U8.svg) | 2U8 | 表記: | Mavoglurant | 組成式: | C19 H23 N O3 | SMILES: | O=C(OC)N3C2CCCC(O)(C#Cc1cccc(c1)C)C2CC3 | InChi: | InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1 | 別名: | methyl (3aR,4S,7aR)-4-hydroxy-4-[(3-methylphenyl)ethynyl]octahydro-1H-indole-1-carboxylate | 定義日: | 2014-02-05 | 最終更新日: | 2021-03-13 | 公開日: | 2014-07-02 | 識別子(ID): | methyl (3aR,4S,7aR)-4-hydroxy-4-[(3-methylphenyl)ethynyl]octahydro-1H-indole-1-carboxylate |
|
![2UZ 2UZ](https://data.pdbj.org/pdbjplus/data/cc/svg/2UZ.svg) | 2UZ | 表記: | (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | 組成式: | C7 H10 N2 O4 S | SMILES: | O=C(O)C(N)C1SCC=C(C(=O)O)N1 | InChi: | InChI=1S/C7H10N2O4S/c8-4(7(12)13)5-9-3(6(10)11)1-2-14-5/h1,4-5,9H,2,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1 | 別名: | (6R,7R)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, hydrolyzed form | 定義日: | 2014-02-17 | 最終更新日: | 2021-03-13 | 公開日: | 2014-05-28 | 識別子(ID): | (2R)-2-[(R)-amino(carboxy)methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
![2V7 2V7](https://data.pdbj.org/pdbjplus/data/cc/svg/2V7.svg) | 2V7 | 表記: | (1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol | 組成式: | C14 H16 O3 | SMILES: | OC(C)C(O)c1ccc2c(c1)ccc(OC)c2 | InChi: | InChI=1S/C14H16O3/c1-9(15)14(16)12-4-3-11-8-13(17-2)6-5-10(11)7-12/h3-9,14-16H,1-2H3/t9-,14+/m0/s1 | 別名: | (6-methoxynaphthalen-2-yl)(oxiran-2-yl)methanol, bound form | 定義日: | 2014-02-20 | 最終更新日: | 2021-03-13 | 公開日: | 2014-03-05 | 識別子(ID): | (1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol |
|
![2XJ 2XJ](https://data.pdbj.org/pdbjplus/data/cc/svg/2XJ.svg) | 2XJ | 表記: | 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol | 組成式: | C22 H29 N5 O3 S2 | SMILES: | n1c(c(sc1c2cc(OCC(O)(C)C)c(OC)cc2)CCC)CSc3nc(nc(N)c3)N | InChi: | InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-19-10-18(23)26-21(24)27-19)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27) | 別名: | 1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol | 定義日: | 2014-04-08 | 最終更新日: | 2021-03-13 | 公開日: | 2014-11-05 | 識別子(ID): | 1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol |
|
![2XL 2XL](https://data.pdbj.org/pdbjplus/data/cc/svg/2XL.svg) | 2XL | 表記: | 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol | 組成式: | C18 H21 N5 O2 S2 | SMILES: | n1c(c(sc1c2cc(O)c(OC)cc2)CCC)CSc3nc(N)cc(n3)N | InChi: | InChI=1S/C18H21N5O2S2/c1-3-4-14-11(9-26-18-22-15(19)8-16(20)23-18)21-17(27-14)10-5-6-13(25-2)12(24)7-10/h5-8,24H,3-4,9H2,1-2H3,(H4,19,20,22,23) | 別名: | 5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenol | 定義日: | 2014-04-08 | 最終更新日: | 2021-03-13 | 公開日: | 2014-11-05 | 識別子(ID): | 5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenol |
|
![KL2 KL2](https://data.pdbj.org/pdbjplus/data/cc/svg/KL2.svg) | KL2 | 表記: | adenosine-2',3'-vanadate | 組成式: | C10 H14 N5 O7 V | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]4O[V](O)(O)(O)O[CH]34 | InChi: | InChI=1S/C10H11N5O4.3H2O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10 | 別名: | [(1~{R},5~{R},6~{R},8~{R})-8-(6-aminopurin-9-yl)-3,3,3-tris(oxidanyl)-2,4,7-trioxa-3$l^{5}-vanadabicyclo[3.3.0]octan-6-yl]methanol | 定義日: | 2019-06-03 | 最終更新日: | 2021-03-13 | 公開日: | 2020-05-20 | 識別子(ID): | [(1~{R},5~{R},6~{R},8~{R})-8-(6-aminopurin-9-yl)-3,3,3-tris(oxidanyl)-2,4,7-trioxa-3$l^{5}-vanadabicyclo[3.3.0]octan-6-yl]methanol |
|
![2XZ 2XZ](https://data.pdbj.org/pdbjplus/data/cc/svg/2XZ.svg) | 2XZ | 表記: | 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol | 組成式: | C20 H25 N5 O3 S2 | SMILES: | n1c(c(sc1c2cc(OCCO)c(OC)cc2)CCC)CSc3nc(N)cc(n3)N | InChi: | InChI=1S/C20H25N5O3S2/c1-3-4-16-13(11-29-20-24-17(21)10-18(22)25-20)23-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-26/h5-6,9-10,26H,3-4,7-8,11H2,1-2H3,(H4,21,22,24,25) | 別名: | 2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol | 定義日: | 2014-04-09 | 最終更新日: | 2021-03-13 | 公開日: | 2015-02-18 | 識別子(ID): | 2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol |
|
![2Y1 2Y1](https://data.pdbj.org/pdbjplus/data/cc/svg/2Y1.svg) | 2Y1 | 表記: | (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine | 組成式: | C21 H26 F N5 O2 S2 | SMILES: | FCCOc1c(OC)ccc(c1)c2nc(c(s2)CCC)C(Sc3nc(N)cc(n3)N)C | InChi: | InChI=1S/C21H26FN5O2S2/c1-4-5-16-19(12(2)30-21-25-17(23)11-18(24)26-21)27-20(31-16)13-6-7-14(28-3)15(10-13)29-9-8-22/h6-7,10-12H,4-5,8-9H2,1-3H3,(H4,23,24,25,26)/t12-/m1/s1 | 別名: | 2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine | 定義日: | 2014-04-09 | 最終更新日: | 2021-03-13 | 公開日: | 2015-02-18 | 識別子(ID): | 2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine |
|
![2Y7 2Y7](https://data.pdbj.org/pdbjplus/data/cc/svg/2Y7.svg) | 2Y7 | 表記: | (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine | 組成式: | C19 H22 F N5 O2 S2 | SMILES: | FCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C | InChi: | InChI=1S/C19H22FN5O2S2/c1-10-17(11(2)29-19-23-15(21)9-16(22)24-19)25-18(28-10)12-4-5-13(26-3)14(8-12)27-7-6-20/h4-5,8-9,11H,6-7H2,1-3H3,(H4,21,22,23,24)/t11-/m0/s1 | 別名: | 2-{[(1S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine | 定義日: | 2014-04-10 | 最終更新日: | 2021-03-13 | 公開日: | 2014-11-05 | 識別子(ID): | 2-{[(1S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine |
|
![2Z3 2Z3](https://data.pdbj.org/pdbjplus/data/cc/svg/2Z3.svg) | 2Z3 | 表記: | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide | 組成式: | C32 H49 F2 N5 O7 | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3 | InChi: | InChI=1S/C32H49F2N5O7/c1-3-4-15-24(27(40)38-26(21-23-13-9-6-10-14-23)32(44,45)31(33,34)29(42)35-2)36-28(41)25(20-22-11-7-5-8-12-22)37-30(43)39-16-18-46-19-17-39/h5,7-8,11-12,23-26,44-45H,3-4,6,9-10,13-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,43)(H,38,40)/t24-,25-,26-/m0/s1 | 別名: | CP-81,282 | 定義日: | 2008-08-28 | 最終更新日: | 2021-03-13 | 識別子(ID): | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide |
|
![2ZS 2ZS](https://data.pdbj.org/pdbjplus/data/cc/svg/2ZS.svg) | 2ZS | 表記: | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide | 組成式: | C31 H48 N4 O7 S | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C(O)C(=O)OC(C)C)CC1CCCCC1)CSC)Cc2ccccc2)N3CCOCC3 | InChi: | InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1 | 別名: | CP-80,794 | 定義日: | 2008-09-08 | 最終更新日: | 2021-03-13 | 識別子(ID): | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide |
|
![KNG KNG](https://data.pdbj.org/pdbjplus/data/cc/svg/KNG.svg) | KNG | 表記: | Kanglemycin A | 組成式: | C50 H67 N O19 | SMILES: | c1(c3c(c(c6c2C(C(C)(OC=CC(C(C(C(C(C(C(C(CCC=C(C(=O)Nc1cc(c23)O)C)C(OC(C(C)(C)CC(=O)O)=O)C)O)C)O)C)OC(C)=O)C)OC5CC4C(OCO4)C(C)O5)O6)=O)C)O)O | InChi: | InChI=1S/C50H67NO19/c1-21-13-12-14-29(26(6)67-48(62)49(9,10)19-34(54)55)40(57)23(3)39(56)24(4)43(68-28(8)52)22(2)32(69-35-18-33-45(27(7)66-35)64-20-63-33)15-16-65-50(11)46(60)38-36-31(53)17-30(51-47(21)61)42(59)37(36)41(58)25(5)44(38)70-50/h13,15-17,22-24,26-27,29,32-33,35,39-40,43,45,53,56-59H,12,14,18-20H2,1-11H3,(H,51,61)(H,54,55)/b16-15+,21-13-/t22-,23+,24-,26+,27-,29-,32+,33+,35+,39-,40-,43-,45-,50+/m1/s1 | 別名: | 4-{(1S)-1-[(1S,2S,12S,16S,17R,18S,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-23-[(2,6-dideoxy-3,4-O-methylidene-beta-D-ribo-hexopyranosyl)oxy]-1,5,6,9,17,19-hexahydroxy-2,4,12,18,20,22-hexamethyl-11-oxo-1,2-dihydro-2,7-(epoxypentadec[1]enoimino)naphtho[2,1-b]furan-16-yl]ethoxy}-3,3-dimethyl-4-oxobutanoic acid | 定義日: | 2018-03-16 | 最終更新日: | 2021-03-13 | 公開日: | 2018-07-25 | 識別子(ID): | 4-[(1~{S})-1-[(4~{Z},8~{S},9~{R},10~{S},11~{R},12~{R},13~{S},14~{R},15~{S},16~{E},19~{S})-15-[[(3~{a}~{R},4~{R},6~{R},7~{a}~{S})-4-methyl-4,6,7,7~{a}-tetrahydro-3~{a}~{H}-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-13-acetyloxy-4,10,12,14,19,28-hexamethyl-9,11,23,25,27-pentakis(oxidanyl)-3,20-bis(oxidanylidene)-18,30-dioxa-2-azatetracyclo[17.6.5.0^{21,29}.0^{22,26}]triaconta-1(25),4,16,21,23,26,28-heptaen-8-yl]ethoxy]-3,3-dimethyl-4-oxidanylidene-butanoic acid |
|
![KOM KOM](https://data.pdbj.org/pdbjplus/data/cc/svg/KOM.svg) | KOM | 表記: | 7,8-dihydroxy-4-phenyl-2H-chromen-2-one | 組成式: | C15 H10 O4 | SMILES: | O=C2Oc1c(O)c(O)ccc1C(=C2)c3ccccc3 | InChi: | InChI=1S/C15H10O4/c16-12-7-6-10-11(9-4-2-1-3-5-9)8-13(17)19-15(10)14(12)18/h1-8,16,18H | 別名: | 4-phenyl-7,8-dihydroxycoumarine | 定義日: | 2008-11-12 | 最終更新日: | 2021-03-13 | 識別子(ID): | 7,8-dihydroxy-4-phenyl-2H-chromen-2-one |
|
![KRA KRA](https://data.pdbj.org/pdbjplus/data/cc/svg/KRA.svg) | KRA | 表記: | KURASOIN A | 組成式: | C16 H14 O3 | SMILES: | O=C(C(=O)Cc1ccc(O)cc1)Cc2ccccc2 | InChi: | InChI=1S/C16H14O3/c17-14-8-6-13(7-9-14)11-16(19)15(18)10-12-4-2-1-3-5-12/h1-9,17H,10-11H2 | 別名: | 1-(4-HYDROXY-PHENYL)-4-PHENYL-BUTANE-2,3-DIONE | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-13 | 識別子(ID): | 1-(4-hydroxyphenyl)-4-phenylbutane-2,3-dione |
|
![33N 33N](https://data.pdbj.org/pdbjplus/data/cc/svg/33N.svg) | 33N | 表記: | N-(3,3-diphenylpropyl)pyridine-3-carboxamide | 組成式: | C21 H20 N2 O | SMILES: | O=C(NCCC(c1ccccc1)c2ccccc2)c3cccnc3 | InChi: | InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24) | 別名: | N-(3,3-Diphenyl-propyl)-nicotinamide | 定義日: | 2009-07-01 | 最終更新日: | 2021-03-13 | 識別子(ID): | N-(3,3-diphenylpropyl)pyridine-3-carboxamide |
|
![KRB KRB](https://data.pdbj.org/pdbjplus/data/cc/svg/KRB.svg) | KRB | 表記: | KURASOIN B | 組成式: | C18 H15 N O2 | SMILES: | O=C(C(=O)Cc2c1ccccc1nc2)Cc3ccccc3 | InChi: | InChI=1S/C18H15NO2/c20-17(10-13-6-2-1-3-7-13)18(21)11-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11H2 | 別名: | 1-(2H-INDOL-3-YL)-4-PHENYL-BUTANE-2,3-DIONE | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-13 | 識別子(ID): | 1-(1H-indol-3-yl)-4-phenylbutane-2,3-dione |
|