![NNR NNR](https://data.pdbj.org/pdbjplus/data/cc/svg/NNR.svg) | NNR | 表記: | Nicotinamide riboside | 組成式: | C11 H15 N2 O5 | SMILES: | O=C(c1ccc[n+](c1)C2OC(C(O)C2O)CO)N | InChi: | InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1 | 別名: | 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium | 定義日: | 2007-08-06 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-carbamoyl-1-beta-D-ribofuranosylpyridinium |
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![NOC NOC](https://data.pdbj.org/pdbjplus/data/cc/svg/NOC.svg) | NOC | 表記: | 3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-CYCLOPENTANE-1,2-DIOL | 組成式: | C11 H15 N5 O3 | SMILES: | n1c(c2ncn(c2nc1)C3CC(CO)C(O)C3O)N | InChi: | InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6+,8-,9-/m0/s1 | 別名: | NEPLANOCIN | 定義日: | 2002-04-23 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1S,2S,3R,5S)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol |
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![NOM NOM](https://data.pdbj.org/pdbjplus/data/cc/svg/NOM.svg) | NOM | 表記: | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE | 組成式: | C16 H12 O6 | SMILES: | O=C1C3=C(C(=O)c2c1cccc2O)C(OC4CC(=O)OC34)C | InChi: | InChI=1S/C16H12O6/c1-6-11-13(16-9(21-6)5-10(18)22-16)14(19)7-3-2-4-8(17)12(7)15(11)20/h2-4,6,9,16-17H,5H2,1H3/t6-,9-,16-/m0/s1 | 別名: | NANAOMYCIN D | 定義日: | 2002-12-10 | 最終更新日: | 2020-06-17 | 識別子(ID): | (3aS,5S,11bR)-7-hydroxy-5-methyl-3,3a,5,11b-tetrahydro-2H-benzo[g]furo[3,2-c]isochromene-2,6,11-trione |
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![4D7 4D7](https://data.pdbj.org/pdbjplus/data/cc/svg/4D7.svg) | 4D7 | 表記: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine | 組成式: | C16 H15 N3 O4 | SMILES: | O=C(NC(C(=O)O)Cc2nc1ccccc1n2)c3c(occ3)C | InChi: | InChI=1S/C16H15N3O4/c1-9-10(6-7-23-9)15(20)19-13(16(21)22)8-14-17-11-4-2-3-5-12(11)18-14/h2-7,13H,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1 | 別名: | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-furan-3-carbonyl)-amino]-propionic acid | 定義日: | 2009-10-22 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine |
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![4D9 4D9](https://data.pdbj.org/pdbjplus/data/cc/svg/4D9.svg) | 4D9 | 表記: | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine | 組成式: | C19 H15 N3 O3 S | SMILES: | O=C(O)C(NC(=O)c2sc1ccccc1c2)Cc4nc3ccccc3n4 | InChi: | InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1 | 別名: | (R)-2-[(Benzo[b]thiophene-2-carbonyl)-amino]-3-(1H-benzoimidazol-2-yl)-propionic acid | 定義日: | 2009-10-22 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine |
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![NOV NOV](https://data.pdbj.org/pdbjplus/data/cc/svg/NOV.svg) | NOV | 表記: | NOVOBIOCIN | 組成式: | C31 H36 N2 O11 | SMILES: | O=C(c1ccc(O)c(c1)CC=C(/C)C)NC3=C(O)c4ccc(OC2OC(C(OC)C(OC(=O)N)C2O)(C)C)c(c4OC3=O)C | InChi: | InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | 別名: | 4-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)benzamido]-8-methylcoumarin-7-yl
3-O-carbamoyl-5,5-di-C-methyl-alpha-l-lyxofuranoside | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide |
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![4DH 4DH](https://data.pdbj.org/pdbjplus/data/cc/svg/4DH.svg) | 4DH | 表記: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine | 組成式: | C21 H19 N5 O3 | SMILES: | O=C(O)C(NC(=O)c1cc(nn1C)c2ccccc2)Cc4nc3ccccc3n4 | InChi: | InChI=1S/C21H19N5O3/c1-26-18(11-16(25-26)13-7-3-2-4-8-13)20(27)24-17(21(28)29)12-19-22-14-9-5-6-10-15(14)23-19/h2-11,17H,12H2,1H3,(H,22,23)(H,24,27)(H,28,29)/t17-/m1/s1 | 別名: | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-5-phenyl-2H-pyrazole-3-carbonyl)-amino]-propionic acid | 定義日: | 2009-10-23 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine |
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![NPJ NPJ](https://data.pdbj.org/pdbjplus/data/cc/svg/NPJ.svg) | NPJ | 表記: | 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSIDE | 組成式: | C18 H25 N O13 | SMILES: | [O-][N+](=O)c3ccc(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)cc3 | InChi: | InChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12+,13-,14-,15-,16-,17+,18-/m1/s1 | 別名: | P-NITROPHENYL MALTOSIDE | 定義日: | 2006-04-07 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-nitrophenyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside |
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![4E8 4E8](https://data.pdbj.org/pdbjplus/data/cc/svg/4E8.svg) | 4E8 | 表記: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine | 組成式: | C18 H20 F N5 | SMILES: | Fc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3 | InChi: | InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2 | 別名: | N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3-fluorophenyl)propan-1-amine | 定義日: | 2014-10-21 | 最終更新日: | 2020-06-17 | 公開日: | 2014-12-24 | 識別子(ID): | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine |
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![NPR NPR](https://data.pdbj.org/pdbjplus/data/cc/svg/NPR.svg) | NPR | 表記: | 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE | 組成式: | C9 H13 N5 O4 | SMILES: | O=C1N=C(NC=2NCC(=NC1=2)C(O)C(O)CO)N | InChi: | InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6-/m0/s1 | 別名: | 7,8-DIHYDRONEOPTERIN | 定義日: | 2003-12-19 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-amino-6-[(1S,2S)-1,2,3-trihydroxypropyl]-7,8-dihydropteridin-4(1H)-one |
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![NPS NPS](https://data.pdbj.org/pdbjplus/data/cc/svg/NPS.svg) | NPS | 表記: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | 組成式: | C14 H14 O3 | SMILES: | O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C | InChi: | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | 別名: | NAPROXEN | 定義日: | 2007-10-04 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
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![NSE NSE](https://data.pdbj.org/pdbjplus/data/cc/svg/NSE.svg) | NSE | 表記: | 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile | 組成式: | C14 H8 N4 O | SMILES: | N#Cc3cccc(c1nc(no1)c2cnccc2)c3 | InChi: | InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H | 別名: | NS9283 | 定義日: | 2013-12-26 | 最終更新日: | 2020-06-17 | 公開日: | 2014-07-08 | 識別子(ID): | 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile |
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![NSS NSS](https://data.pdbj.org/pdbjplus/data/cc/svg/NSS.svg) | NSS | 表記: | 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE | 組成式: | C14 H21 N8 O8 S | SMILES: | O=C(N)CC(C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)[NH3+] | InChi: | InChI=1S/C14H20N8O8S/c15-5(1-7(16)23)13(26)21-31(27,28)29-2-6-9(24)10(25)14(30-6)22-4-20-8-11(17)18-3-19-12(8)22/h3-6,9-10,14,24-25H,1-2,15H2,(H2,16,23)(H,21,26)(H2,17,18,19)/p+1/t5-,6+,9+,10+,14+/m0/s1 | 別名: | ASN-SA | 定義日: | 2005-05-25 | 最終更新日: | 2020-06-17 | 識別子(ID): | 5'-O-{[(2S)-4-amino-2-ammonio-4-oxobutanoyl]sulfamoyl}adenosine |
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![RWJ RWJ](https://data.pdbj.org/pdbjplus/data/cc/svg/RWJ.svg) | RWJ | 表記: | CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE | 組成式: | C19 H25 N5 O2 S | SMILES: | O=C(NC(C(=O)c1nc2ccccc2s1)CCCNC(=[N@H])N)C3CCCC3 | InChi: | InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)/t14-/m0/s1 | 別名: | RWJ-51084 | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[(1S)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]cyclopentanecarboxamide |
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![RX3 RX3](https://data.pdbj.org/pdbjplus/data/cc/svg/RX3.svg) | RX3 | 表記: | N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-L-TRYPT
OPHAN | 組成式: | C33 H36 N3 O7 P | SMILES: | O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)C5CCCC5C(=O)NC(C(=O)O)Cc4c3ccccc3nc4 | InChi: | InChI=1S/C33H36N3O7P/c37-31(35-28(32(38)39)19-24-20-34-27-16-8-7-14-25(24)27)26-15-9-17-29(26)44(41,42)30(18-22-10-3-1-4-11-22)36-33(40)43-21-23-12-5-2-6-13-23/h1-8,10-14,16,20,26,28-30,34H,9,15,17-19,21H2,(H,35,37)(H,36,40)(H,38,39)(H,41,42)/t26-,28+,29-,30-/m1/s1 | 別名: | RXPA380 | 定義日: | 2007-01-04 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-({(1S,2R)-2-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-L-tryptophan |
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![RX5 RX5](https://data.pdbj.org/pdbjplus/data/cc/svg/RX5.svg) | RX5 | 表記: | methyl
(2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]
methoxy}ethyl)carbamate | 組成式: | C26 H41 Cl N4 O5 | SMILES: | Clc1cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NCC(NC)CC2CCCOC2)C3 | InChi: | InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1 | 別名: | VTP-27999 | 定義日: | 2011-02-14 | 最終更新日: | 2020-06-17 | 識別子(ID): | methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate |
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![RXM RXM](https://data.pdbj.org/pdbjplus/data/cc/svg/RXM.svg) | RXM | 表記: | (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1
5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2
5-yl acetate | 組成式: | C43 H51 N3 O11 | SMILES: | N4C(=O)C(C)=CC=CC(C)C(C(C)C(C(C)C(C(C)C(C=COC1(C(=O)c2c(O1)c(c(c5c2c6nc3cc(C)ccn3c6c4c5O)O)C)C)OC)OC(C)=O)O)O | InChi: | InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1 | 別名: | Rifaximin | 定義日: | 2017-10-26 | 最終更新日: | 2020-06-17 | 公開日: | 2018-07-18 | 識別子(ID): | (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,15-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-25-yl acetate |
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![9RC 9RC](https://data.pdbj.org/pdbjplus/data/cc/svg/9RC.svg) | 9RC | 表記: | 5'-O-[(S)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine | 組成式: | C16 H18 N3 O10 P | SMILES: | O=C1NC(=O)C(C)=CN1C2CC(O)C(O2)COP(Oc3ccc([N+]([O-])=O)cc3)(=O)O | InChi: | InChI=1S/C16H18N3O10P/c1-9-7-18(16(22)17-15(9)21)14-6-12(20)13(28-14)8-27-30(25,26)29-11-4-2-10(3-5-11)19(23)24/h2-5,7,12-14,20H,6,8H2,1H3,(H,25,26)(H,17,21,22)/t12-,13+,14+/m0/s1 | 別名: | PNP-TMP | 定義日: | 2018-06-28 | 最終更新日: | 2020-06-17 | 公開日: | 2019-03-13 | 識別子(ID): | 5'-O-[(S)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine |
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![RYN RYN](https://data.pdbj.org/pdbjplus/data/cc/svg/RYN.svg) | RYN | 表記: | N-ethyl-N'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine | 組成式: | C9 H17 N5 S | SMILES: | S(c1nc(nc(n1)NC(C)C)NCC)C | InChi: | InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) | 別名: | Ametryn | 定義日: | 2010-03-05 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-ethyl-6-(methylsulfanyl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine |
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![9TG 9TG](https://data.pdbj.org/pdbjplus/data/cc/svg/9TG.svg) | 9TG | 表記: | 3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid | 組成式: | C15 H16 B N O5 S | SMILES: | c2c(C(=O)O)cc(CC(B(O)O)NC(=O)Cc1cccs1)cc2 | InChi: | InChI=1S/C15H16BNO5S/c18-14(9-12-5-2-6-23-12)17-13(16(21)22)8-10-3-1-4-11(7-10)15(19)20/h1-7,13,21-22H,8-9H2,(H,17,18)(H,19,20)/t13-/m0/s1 | 別名: | boronic acid transition state inhibitor EC04 | 定義日: | 2017-06-07 | 最終更新日: | 2020-06-17 | 公開日: | 2017-11-29 | 識別子(ID): | 3-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]benzoic acid |
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![9TJ 9TJ](https://data.pdbj.org/pdbjplus/data/cc/svg/9TJ.svg) | 9TJ | 表記: | 3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid | 組成式: | C17 H17 B N4 O5 S | SMILES: | C(B(O)O)(Cn2cc(c1cccc(c1)C(O)=O)nn2)NC(=O)Cc3sccc3 | InChi: | InChI=1S/C17H17BN4O5S/c23-16(8-13-5-2-6-28-13)19-15(18(26)27)10-22-9-14(20-21-22)11-3-1-4-12(7-11)17(24)25/h1-7,9,15,26-27H,8,10H2,(H,19,23)(H,24,25)/t15-/m0/s1 | 別名: | boronic acid transition state inhibitor S03043 | 定義日: | 2017-06-07 | 最終更新日: | 2020-06-17 | 公開日: | 2017-11-29 | 識別子(ID): | 3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid |
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![S06 S06](https://data.pdbj.org/pdbjplus/data/cc/svg/S06.svg) | S06 | 表記: | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | 組成式: | C18 H21 N O6 | SMILES: | O1C(C(O)C(O)C(O)C14ONC(c3cc2ccccc2cc3)C4)CO | InChi: | InChI=1S/C18H21NO6/c20-9-14-15(21)16(22)17(23)18(24-14)8-13(19-25-18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-17,19-23H,8-9H2/t13-,14+,15+,16-,17+,18+/m0/s1 | 別名: | (1R)-3'-(2-naphthyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | 定義日: | 2007-09-04 | 最終更新日: | 2020-06-17 | 識別子(ID): | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-naphthalen-2-yl-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol |
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![9TP 9TP](https://data.pdbj.org/pdbjplus/data/cc/svg/9TP.svg) | 9TP | 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-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside | 組成式: | C32 H32 O13 S | SMILES: | O=C1OCC8C1C(c2cc(OC)c(O)c(OC)c2)c4cc3OCOc3cc4C8OC6OC5COC(OC5C(O)C6O)c7sccc7 | InChi: | InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1 | 別名: | Teniposide | 定義日: | 2013-07-01 | 最終更新日: | 2020-06-17 | 公開日: | 2013-07-24 | 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-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside |
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![S12 S12](https://data.pdbj.org/pdbjplus/data/cc/svg/S12.svg) | S12 | 表記: | O-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine | 組成式: | C24 H46 N O9 P | SMILES: | O=C(O)C(N)COP(=O)(OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC)O | InChi: | InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/t21-,22-/m0/s1 | 別名: | 1-oleoyl-2-hydroxy-sn-glycero-3-phospho-L-serine | 定義日: | 2012-03-29 | 最終更新日: | 2020-06-17 | 公開日: | 2012-09-07 | 識別子(ID): | O-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine |
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![S19 S19](https://data.pdbj.org/pdbjplus/data/cc/svg/S19.svg) | S19 | 表記: | 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide | 組成式: | C17 H22 N6 O2 | SMILES: | O=C(N)c1c(nc(nc1)NC2CCOCC2N)Nc3ccc(cc3)C | InChi: | InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1 | 別名: | GSK143 | 定義日: | 2011-07-12 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide |
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