![GXW GXW](https://data.pdbj.org/pdbjplus/data/cc/svg/GXW.svg) | GXW | 表記: | Cu(II)-substituted Wells-Dawson | 組成式: | Cu H2 O61 P2 W17 | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23O[W]456O[W]78O[Cu]9%10O[W]%11%12O[W]%13%14O[W]%15%16O[W]1(O9)(O%11)O[W](O7)(O4)O[W]%17%18(O[PH]%19%20O[W]%21%22%23O[W]%24(O5)O[W](O2)(O%10)(O8)O[W](O3)(O%12)(O%24)O[W](O%19)(O%13)(O%21)O[W]%25%26(O%22)O[W]%27(O%14)(O%15)O[W](O[W](O6)(O%17)O%23)(O%18)(O%25)[O]%20%26%27)O%16 | InChi: | InChI=1S/Cu.2HO4P.17H2O.36O.17W/c | 定義日: | 2018-10-19 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 |
|
![GXZ GXZ](https://data.pdbj.org/pdbjplus/data/cc/svg/GXZ.svg) | GXZ | 表記: | Ni(II)-substituted Wells-Dawson | 組成式: | H2 Ni O61 P2 W17 | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23O[W]456O[Ni]78O[W]9%10O[W]%11%12O[W](O2)(O7)(O[W]%13%14O[W]%15(O4)O[W]%16%17%18O[PH]%19%20O[W]%21(O%11)(O%13)O[W]%22%23(O%19)O[W](O[W]%24(O[W](O[W]1(O8)(O9)O%24)(O5)O%16)O[W](O3)(O%10)(O%12)O%22)(O%17)O[W]%25%26(O%18)O[W]%27(O%15)(O%14)O[W](O%21)(O%23)(O%25)[O]%20%26%27)O6 | InChi: | InChI=1S/Ni.2HO4P.17H2O.36O.17W/c | 定義日: | 2018-10-19 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 |
|
![LRQ LRQ](https://data.pdbj.org/pdbjplus/data/cc/svg/LRQ.svg) | LRQ | 表記: | Bridged tetracyclic indole | 組成式: | C27 H27 F3 N2 O2 | SMILES: | CC(C)(F)CN1[CH]2CCC[C]1(c3[nH]c4ccccc4c3C2)c5c(F)cc(C=CC(O)=O)cc5F | InChi: | InChI=1S/C27H27F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-4,7-10,12-13,17,31H,5-6,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1 | 定義日: | 2019-09-03 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 |
|
![LVH LVH](https://data.pdbj.org/pdbjplus/data/cc/svg/LVH.svg) | LVH | 表記: | (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid | 組成式: | C26 H27 F3 N2 O2 | SMILES: | C[CH]1Cc2c([nH]c3ccccc23)[C](C)(N1CC(C)(C)F)c4c(F)cc(C=CC(O)=O)cc4F | InChi: | InChI=1S/C26H27F3N2O2/c1-15-11-18-17-7-5-6-8-21(17)30-24(18)26(4,31(15)14-25(2,3)29)23-19(27)12-16(13-20(23)28)9-10-22(32)33/h5-10,12-13,15,30H,11,14H2,1-4H3,(H,32,33)/b10-9+/t15-,26-/m1/s1 | 定義日: | 2019-09-16 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 | 識別子(ID): | (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid |
|
![Q0J Q0J](https://data.pdbj.org/pdbjplus/data/cc/svg/Q0J.svg) | Q0J | 表記: | 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine | 組成式: | C19 H14 F N3 | SMILES: | c1c(C)ccc2n1nc(c2c3ccncc3)c4ccc(cc4)F | InChi: | InChI=1S/C19H14FN3/c1-13-2-7-17-18(14-8-10-21-11-9-14)19(22-23(17)12-13)15-3-5-16(20)6-4-15/h2-12H,1H3 | 定義日: | 2019-09-01 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 | 識別子(ID): | 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine |
|
![MM8 MM8](https://data.pdbj.org/pdbjplus/data/cc/svg/MM8.svg) | MM8 | 表記: | 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide | 組成式: | C24 H26 N4 O2 | SMILES: | COc1cc(ccc1C(N)=O)c2cncc(c2C)c3ccc(cc3)N4CCNCC4 | InChi: | InChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29) | 定義日: | 2019-10-18 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 | 識別子(ID): | 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide |
|
![O77 O77](https://data.pdbj.org/pdbjplus/data/cc/svg/O77.svg) | O77 | 表記: | N-[(3S)-3-amino-3-carboxypropyl]-L-histidine | 組成式: | C10 H16 N4 O4 | SMILES: | C(O)(C(NCCC(C(=O)O)N)Cc1cncn1)=O | InChi: | InChI=1S/C10H16N4O4/c11-7(9(15)16)1-2-13-8(10(17)18)3-6-4-12-5-14-6/h4-5,7-8,13H,1-3,11H2,(H,12,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1 | 定義日: | 2019-06-17 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 | 識別子(ID): | N-[(3S)-3-amino-3-carboxypropyl]-L-histidine |
|
![O7J O7J](https://data.pdbj.org/pdbjplus/data/cc/svg/O7J.svg) | O7J | 表記: | N-[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}propyl]-L-glutamic acid | 組成式: | C15 H22 N4 O8 | SMILES: | OC(C(CCNC(C(O)=O)Cc1cncn1)NC(CCC(O)=O)C(O)=O)=O | InChi: | InChI=1S/C15H22N4O8/c20-12(21)2-1-9(13(22)23)19-10(14(24)25)3-4-17-11(15(26)27)5-8-6-16-7-18-8/h6-7,9-11,17,19H,1-5H2,(H,16,18)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/t9-,10-,11-/m0/s1 | 定義日: | 2019-06-17 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 | 識別子(ID): | N-[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}propyl]-L-glutamic acid |
|
![AJR AJR](https://data.pdbj.org/pdbjplus/data/cc/svg/AJR.svg) | AJR | 表記: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol) | 組成式: | C20 H28 N6 O3 | SMILES: | n2c(N(CCO)CCO)nc1c(ncn1C(C)C)c2NCc3ccc(cc3)OC | InChi: | InChI=1S/C20H28N6O3/c1-14(2)26-13-22-17-18(21-12-15-4-6-16(29-3)7-5-15)23-20(24-19(17)26)25(8-10-27)9-11-28/h4-7,13-14,27-28H,8-12H2,1-3H3,(H,21,23,24) | 定義日: | 2018-11-06 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 | 識別子(ID): | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol) |
|
![AOU AOU](https://data.pdbj.org/pdbjplus/data/cc/svg/AOU.svg) | AOU | 表記: | (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid | 組成式: | C25 H20 Cl2 N2 O4 | SMILES: | c4cc(c(c3noc(c3C(c1cn(c2c1cccc2[C@H]=CC(O)=O)C)=O)C(C)C)c(c4)Cl)Cl | InChi: | InChI=1S/C25H20Cl2N2O4/c1-13(2)25-21(22(28-33-25)20-17(26)8-5-9-18(20)27)24(32)16-12-29(3)23-14(10-11-19(30)31)6-4-7-15(16)23/h4-13H,1-3H3,(H,30,31)/b11-10+ | 定義日: | 2018-11-13 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 | 識別子(ID): | (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid |
|
![BA6 BA6](https://data.pdbj.org/pdbjplus/data/cc/svg/BA6.svg) | BA6 | 表記: | (2S)-heptane-1,2,7-triol | 組成式: | C7 H16 O3 | SMILES: | OCCCCCC(O)CO | InChi: | InChI=1S/C7H16O3/c8-5-3-1-2-4-7(10)6-9/h7-10H,1-6H2/t7-/m0/s1 | 定義日: | 2019-01-31 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 | 識別子(ID): | (2S)-heptane-1,2,7-triol |
|
![BA9 BA9](https://data.pdbj.org/pdbjplus/data/cc/svg/BA9.svg) | BA9 | 表記: | propane-2,2-diol | 組成式: | C3 H8 O2 | SMILES: | OC(C)(O)C | InChi: | InChI=1S/C3H8O2/c1-3(2,4)5/h4-5H,1-2H3 | 定義日: | 2019-01-31 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 | 識別子(ID): | propane-2,2-diol |
|
![C83 C83](https://data.pdbj.org/pdbjplus/data/cc/svg/C83.svg) | C83 | 表記: | N-[3-[(4R,5R,6R)-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide | 組成式: | C18 H18 F3 N5 O2 S | SMILES: | C[CH]1SC(=N[C](C)([CH]1F)c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)N | InChi: | InChI=1S/C18H18F3N5O2S/c1-9-15(21)18(2,26-17(22)29-9)11-5-10(3-4-12(11)20)25-16(27)13-6-24-14(7-23-13)28-8-19/h3-7,9,15H,8H2,1-2H3,(H2,22,26)(H,25,27)/t9-,15+,18-/m1/s1 | 定義日: | 2019-04-12 | 最終更新日: | 2019-10-25 | 公開日: | 2019-10-30 | 識別子(ID): | ~{N}-[3-[(4~{R},5~{R},6~{R})-2-azanyl-5-fluoranyl-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide |
|
![3JI 3JI](https://data.pdbj.org/pdbjplus/data/cc/svg/3JI.svg) | 3JI | 表記: | 3-(4-PHENYLBUTANAMIDO)PYRIDINE-4-CARBOXYLIC ACID | 組成式: | C16 H17 N2 O4 | SMILES: | OC(=O)c1cc[n](O)cc1NC(=O)CCCc2ccccc2 | InChi: | InChI=1S/C16H17N2O4/c19-15(8-4-7-12-5-2-1-3-6-12)17-14-11-18(22)10-9-13(14)16(20)21/h1-3,5-6,9-11,22H,4,7-8H2,(H,17,19)(H,20,21) | 定義日: | 2015-11-27 | 最終更新日: | 2019-10-21 | 公開日: | 2016-01-27 | 識別子(ID): | 1-oxidanyl-3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid |
|
![J52 J52](https://data.pdbj.org/pdbjplus/data/cc/svg/J52.svg) | J52 | 表記: | dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron | 組成式: | C4 Fe N2 Ni O2 | SMILES: | [Ni]C#[O+].O=C=[Fe](C#N)C#N | InChi: | InChI=1S/2CN.2CO.Fe.Ni/c4*1-2 | 定義日: | 2019-01-25 | 最終更新日: | 2019-10-18 | 公開日: | 2019-10-23 | 識別子(ID): | dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron |
|
![GKH GKH](https://data.pdbj.org/pdbjplus/data/cc/svg/GKH.svg) | GKH | 表記: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[[2-[(~{E})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate | 組成式: | C23 H20 N8 O8 S3 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)c4csc(C=Cc5sc6cc(O)ccc6n5)n4)[CH](O)[CH]3O | InChi: | InChI=1S/C23H20N8O8S3/c24-20-17-21(26-8-25-20)31(9-27-17)23-19(34)18(33)13(39-23)6-38-42(36,37)30-22(35)12-7-40-15(29-12)3-4-16-28-11-2-1-10(32)5-14(11)41-16/h1-5,7-9,13,18-19,23,32-34H,6H2,(H,30,35)(H2,24,25,26)/b4-3+/t13-,18-,19-,23-/m1/s1 | 定義日: | 2018-09-21 | 最終更新日: | 2019-10-18 | 公開日: | 2019-10-23 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[[2-[(~{E})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate |
|
![GOQ GOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/GOQ.svg) | GOQ | 表記: | 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid | 組成式: | C17 H11 N O7 | SMILES: | COc1cccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+]([O-])=O | InChi: | InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20) | 定義日: | 2018-10-02 | 最終更新日: | 2019-10-18 | 公開日: | 2019-10-23 | 識別子(ID): | 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid |
|
![GOT GOT](https://data.pdbj.org/pdbjplus/data/cc/svg/GOT.svg) | GOT | 表記: | Phospholipid PG(16:0/cy17:0) | 組成式: | C39 H75 O10 P | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCC[CH]1C[CH]1CCCCCC | InChi: | InChI=1S/C39H75O10P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(42)46-32-37(33-48-50(44,45)47-31-36(41)30-40)49-39(43)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h34-37,40-41H,3-33H2,1-2H3,(H,44,45)/t34-,35+,36+,37+/m0/s1 | 定義日: | 2018-10-02 | 最終更新日: | 2019-10-18 | 公開日: | 2019-10-23 | 識別子(ID): | [(2~{R})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-[8-[(1~{R},2~{S})-2-hexylcyclopropyl]octanoyloxy]propyl] hexadecanoate |
|
![GOZ GOZ](https://data.pdbj.org/pdbjplus/data/cc/svg/GOZ.svg) | GOZ | 表記: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide | 組成式: | C20 H26 N6 O2 | SMILES: | N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3cc(N)nc(N)c3 | InChi: | InChI=1S/C20H26N6O2/c21-15(9-13-5-2-1-3-6-13)20(28)26-8-4-7-16(26)19(27)24-12-14-10-17(22)25-18(23)11-14/h1-3,5-6,10-11,15-16H,4,7-9,12,21H2,(H,24,27)(H4,22,23,25)/t15-,16+/m1/s1 | 定義日: | 2018-10-02 | 最終更新日: | 2019-10-18 | 公開日: | 2019-10-23 | 識別子(ID): | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide |
|
![K1U K1U](https://data.pdbj.org/pdbjplus/data/cc/svg/K1U.svg) | K1U | 表記: | (3R)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid | 組成式: | C19 H18 O4 S | SMILES: | OC(CC(Cc1ccccc1)C(=O)SCC(=O)c2ccccc2)=O | InChi: | InChI=1S/C19H18O4S/c20-17(15-9-5-2-6-10-15)13-24-19(23)16(12-18(21)22)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,21,22)/t16-/m1/s1 | 定義日: | 2018-11-02 | 最終更新日: | 2019-10-18 | 公開日: | 2019-10-23 | 識別子(ID): | (3R)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid |
|
![K2U K2U](https://data.pdbj.org/pdbjplus/data/cc/svg/K2U.svg) | K2U | 表記: | (3~{R},4~{R})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid | 組成式: | C18 H20 O3 S | SMILES: | O[CH](SCc1ccccc1)[CH](CC(O)=O)Cc2ccccc2 | InChi: | InChI=1S/C18H20O3S/c19-17(20)12-16(11-14-7-3-1-4-8-14)18(21)22-13-15-9-5-2-6-10-15/h1-10,16,18,21H,11-13H2,(H,19,20)/t16-,18-/m1/s1 | 定義日: | 2018-11-04 | 最終更新日: | 2019-10-18 | 公開日: | 2019-10-23 | 識別子(ID): | (3~{R},4~{R})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid |
|
![K3U K3U](https://data.pdbj.org/pdbjplus/data/cc/svg/K3U.svg) | K3U | 表記: | S-(2-oxo-2-phenylethyl) (2R)-2-benzyl-4,4,4-trifluorobutanethioate | 組成式: | C19 H17 F3 O2 S | SMILES: | O=C(c1ccccc1)CSC(=O)C(Cc2ccccc2)CC(F)(F)F | InChi: | InChI=1S/C19H17F3O2S/c20-19(21,22)12-16(11-14-7-3-1-4-8-14)18(24)25-13-17(23)15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m1/s1 | 定義日: | 2018-11-01 | 最終更新日: | 2019-10-18 | 公開日: | 2019-10-23 | 識別子(ID): | S-(2-oxo-2-phenylethyl) (2R)-2-benzyl-4,4,4-trifluorobutanethioate |
|
![K7S K7S](https://data.pdbj.org/pdbjplus/data/cc/svg/K7S.svg) | K7S | 表記: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide | 組成式: | C23 H18 F3 N3 O2 | SMILES: | c1(cc2c(cc1)N(C)C(N2)=O)c4cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc4C | InChi: | InChI=1S/C23H18F3N3O2/c1-13-6-8-17(27-21(30)15-4-3-5-16(10-15)23(24,25)26)12-18(13)14-7-9-20-19(11-14)28-22(31)29(20)2/h3-12H,1-2H3,(H,27,30)(H,28,31) | 定義日: | 2018-11-08 | 最終更新日: | 2019-10-18 | 公開日: | 2019-10-23 | 識別子(ID): | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide |
|
![K9B K9B](https://data.pdbj.org/pdbjplus/data/cc/svg/K9B.svg) | K9B | 表記: | (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid | 組成式: | C19 H29 B N3 O6 | SMILES: | NCCN[CH]1CC[CH](CC1)CC(=O)N[CH]2Cc3cccc(C(O)=O)c3O[B-]2(O)O | InChi: | InChI=1S/C19H29BN3O6/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)29-20(16,27)28/h1-3,12,14,16,22,27-28H,4-11,21H2,(H,23,24)(H,25,26)/q-1/t12-,14-,16-/m0/s1 | 定義日: | 2019-05-07 | 最終更新日: | 2019-10-18 | 公開日: | 2019-09-11 | 識別子(ID): | (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid |
|
![EI9 EI9](https://data.pdbj.org/pdbjplus/data/cc/svg/EI9.svg) | EI9 | 表記: | 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride | 組成式: | C21 H16 F N3 O5 S2 | SMILES: | C1(=O)NC=Cc2c1cc(cc2)N(Cc3ccncc3)S(c4cccc(c4)S(=O)(=O)F)(=O)=O | InChi: | InChI=1S/C21H16FN3O5S2/c22-31(27,28)18-2-1-3-19(13-18)32(29,30)25(14-15-6-9-23-10-7-15)17-5-4-16-8-11-24-21(26)20(16)12-17/h1-13H,14H2,(H,24,26) | 定義日: | 2019-08-20 | 最終更新日: | 2019-10-18 | 公開日: | 2019-10-23 | 識別子(ID): | 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride |
|