![AQ7 AQ7](https://data.pdbj.org/pdbjplus/data/cc/svg/AQ7.svg) | AQ7 | 表記: | N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine | 組成式: | C12 H20 N2 O4 | SMILES: | C(=O)(CC)N1CC(C(NC(C)C(=O)O)=O)CCC1 | InChi: | InChI=1S/C12H20N2O4/c1-3-10(15)14-6-4-5-9(7-14)11(16)13-8(2)12(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8-,9+/m0/s1 | 別名: | N-[(3R)-1-acryloylpiperidine-3-carbonyl]-L-alanine, bound form | 定義日: | 2017-07-21 | 最終更新日: | 2020-06-17 | 公開日: | 2018-01-17 | 識別子(ID): | N-[(3R)-1-propanoylpiperidine-3-carbonyl]-L-alanine |
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![KIR KIR](https://data.pdbj.org/pdbjplus/data/cc/svg/KIR.svg) | KIR | 表記: | KIRROMYCIN | 組成式: | C43 H60 N2 O12 | SMILES: | O=C1NC=CC(O)=C1C(=O)C(=CC=CC=CC2OC(C(O)C2O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C3(O)OC(C=CC=C/C)C(C(O)C3O)(C)C)C)C | InChi: | InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1 | 別名: | MOCIMYCIN | 定義日: | 2002-04-10 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name) |
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![KKR KKR](https://data.pdbj.org/pdbjplus/data/cc/svg/KKR.svg) | KKR | 表記: | 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4-
dione | 組成式: | C30 H35 N7 O3 S | SMILES: | O=C(C=C(/C)C)CCC(=O)N1CCN(CC1)Cc3sc2c(nc(nc2c3)c5cccc4nncc45)N6CCOCC6 | InChi: | InChI=1S/C30H35N7O3S/c1-20(2)16-21(38)6-7-27(39)36-10-8-35(9-11-36)19-22-17-26-28(41-22)30(37-12-14-40-15-13-37)33-29(32-26)23-4-3-5-25-24(23)18-31-34-25/h3-5,16-18H,6-15,19H2,1-2H3,(H,31,34) | 別名: | 1-[4-[[2-(1H-indazol-4-yl)-4-morpholinthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4-dione | 定義日: | 2013-01-09 | 最終更新日: | 2020-06-17 | 公開日: | 2013-02-08 | 識別子(ID): | 1-(4-{[2-(1H-indazol-4-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-6-methylhept-5-ene-1,4-dione |
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![KLT KLT](https://data.pdbj.org/pdbjplus/data/cc/svg/KLT.svg) | KLT | 表記: | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide | 組成式: | C14 H11 Cl N2 O4 S | SMILES: | O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2 | InChi: | InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)/t14-/m0/s1 | 別名: | chlorthalidone | 定義日: | 2008-11-11 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzenesulfonamide |
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![KNJ KNJ](https://data.pdbj.org/pdbjplus/data/cc/svg/KNJ.svg) | KNJ | 表記: | (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop
-2-en-1-yl)-1,3-thiazolidine-4-carboxamide | 組成式: | C30 H40 N4 O5 S | SMILES: | O=C(NCC(=C)/C)C3N(C(=O)C(O)C(NC(=O)COc1c(cc(N)cc1C)C)Cc2ccccc2)CSC3(C)C | InChi: | InChI=1S/C30H40N4O5S/c1-18(2)15-32-28(37)27-30(5,6)40-17-34(27)29(38)25(36)23(14-21-10-8-7-9-11-21)33-24(35)16-39-26-19(3)12-22(31)13-20(26)4/h7-13,23,25,27,36H,1,14-17,31H2,2-6H3,(H,32,37)(H,33,35)/t23-,25-,27+/m0/s1 | 別名: | KNI-1689 | 定義日: | 2009-05-29 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop-2-en-1-yl)-1,3-thiazolidine-4-carboxamide |
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![KNW KNW](https://data.pdbj.org/pdbjplus/data/cc/svg/KNW.svg) | KNW | 表記: | (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-
dihydro-1,4-benzoxazine-2-carboxylic acid | 組成式: | C30 H30 Cl F N2 O7 | SMILES: | OC(=O)CCCN1C[CH](Oc2c(NC(=O)c3ccc(OCCCCc4cc(F)ccc4Cl)cc3)cccc12)C(O)=O | InChi: | InChI=1S/C30H30ClFN2O7/c31-23-14-11-21(32)17-20(23)5-1-2-16-40-22-12-9-19(10-13-22)29(37)33-24-6-3-7-25-28(24)41-26(30(38)39)18-34(25)15-4-8-27(35)36/h3,6-7,9-14,17,26H,1-2,4-5,8,15-16,18H2,(H,33,37)(H,35,36)(H,38,39)/t26-/m0/s1 | 別名: | ONO-2570366 | 定義日: | 2019-06-13 | 最終更新日: | 2020-06-17 | 公開日: | 2019-12-11 | 識別子(ID): | (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid |
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![KNZ KNZ](https://data.pdbj.org/pdbjplus/data/cc/svg/KNZ.svg) | KNZ | 表記: | (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but
yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid | 組成式: | C30 H29 F3 N2 O8 | SMILES: | OC(=O)CCCN1C[CH](Oc2c(NC(=O)c3ccc(OCCCCOc4cccc(F)c4F)cc3F)cccc12)C(O)=O | InChi: | InChI=1S/C30H29F3N2O8/c31-20-6-3-9-24(27(20)33)42-15-2-1-14-41-18-11-12-19(21(32)16-18)29(38)34-22-7-4-8-23-28(22)43-25(30(39)40)17-35(23)13-5-10-26(36)37/h3-4,6-9,11-12,16,25H,1-2,5,10,13-15,17H2,(H,34,38)(H,36,37)(H,39,40)/t25-/m0/s1 | 別名: | ONO-2080365 | 定義日: | 2019-06-13 | 最終更新日: | 2020-06-17 | 公開日: | 2019-12-11 | 識別子(ID): | (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid |
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![KO5 KO5](https://data.pdbj.org/pdbjplus/data/cc/svg/KO5.svg) | KO5 | 表記: | (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih
ydro-1,4-benzoxazine-2-carboxylic acid | 組成式: | C31 H33 F N2 O7 | SMILES: | Cc1ccc(F)cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4N(CCCC(O)=O)C[CH](Oc34)C(O)=O | InChi: | InChI=1S/C31H33FN2O7/c1-20-10-13-23(32)18-22(20)6-2-3-17-40-24-14-11-21(12-15-24)30(37)33-25-7-4-8-26-29(25)41-27(31(38)39)19-34(26)16-5-9-28(35)36/h4,7-8,10-15,18,27H,2-3,5-6,9,16-17,19H2,1H3,(H,33,37)(H,35,36)(H,38,39)/t27-/m0/s1 | 別名: | ONO-2770372 | 定義日: | 2019-06-13 | 最終更新日: | 2020-06-17 | 公開日: | 2019-12-11 | 識別子(ID): | (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid |
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![KOR KOR](https://data.pdbj.org/pdbjplus/data/cc/svg/KOR.svg) | KOR | 表記: | L-HOMOCYSTEINE-S-N-S-L-CYSTEINE | 組成式: | C7 H15 N3 O5 S2 | SMILES: | O=S(NSCCC(N)C(=O)O)CC(C(=O)O)N | InChi: | InChI=1S/C7H15N3O5S2/c8-4(6(11)12)1-2-16-10-17(15)3-5(9)7(13)14/h4-5,10H,1-3,8-9H2,(H,11,12)(H,13,14)/t4-,5-,17+/m0/s1 | 別名: | N-THIOSULFOXIMIDE | 定義日: | 2006-03-17 | 最終更新日: | 2020-06-17 | 識別子(ID): | S-({(R)-[(2R)-2-amino-2-carboxyethyl]sulfinyl}amino)-L-homocysteine |
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![KOS KOS](https://data.pdbj.org/pdbjplus/data/cc/svg/KOS.svg) | KOS | 表記: | 17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN | 組成式: | C32 H48 N4 O8 | SMILES: | O=C1C(NCCN(C)C)=C2C(=O)C(=C1)NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C | InChi: | InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1 | 別名: | 17-DMAG | 定義日: | 2003-03-20 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate |
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![KPS KPS](https://data.pdbj.org/pdbjplus/data/cc/svg/KPS.svg) | KPS | 表記: | pseudouridine 5'-phosphate, linear | 組成式: | C9 H15 N2 O9 P | SMILES: | O=C1C(=CNC(=O)N1)CC(O)C(O)C(O)COP(=O)(O)O | InChi: | InChI=1S/C9H15N2O9P/c12-5(1-4-2-10-9(16)11-8(4)15)7(14)6(13)3-20-21(17,18)19/h2,5-7,12-14H,1,3H2,(H2,17,18,19)(H2,10,11,15,16)/t5-,6+,7-/m0/s1 | 別名: | 1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol | 定義日: | 2012-08-16 | 最終更新日: | 2020-06-17 | 公開日: | 2012-10-26 | 識別子(ID): | 1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol |
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![KPV KPV](https://data.pdbj.org/pdbjplus/data/cc/svg/KPV.svg) | KPV | 表記: | 5-PHENYL-2-KETO-VALERIC ACID | 組成式: | C11 H12 O3 | SMILES: | O=C(O)C(=O)CCCc1ccccc1 | InChi: | InChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14) | 別名: | 2-OXO-5-PHENYLPENTANOIC ACID | 定義日: | 2007-06-19 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-oxo-5-phenylpentanoic acid |
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![KQ7 KQ7](https://data.pdbj.org/pdbjplus/data/cc/svg/KQ7.svg) | KQ7 | 表記: | N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py
ridine-3-carboxamide | 組成式: | C30 H37 N7 O3 | SMILES: | CN1CCC[CH]1CCNc2ccc(cn2)C(=O)Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C | InChi: | InChI=1S/C30H37N7O3/c1-21-5-7-24(34-29(38)22-9-11-32-28(18-22)37-14-16-40-17-15-37)19-26(21)35-30(39)23-6-8-27(33-20-23)31-12-10-25-4-3-13-36(25)2/h5-9,11,18-20,25H,3-4,10,12-17H2,1-2H3,(H,31,33)(H,34,38)(H,35,39)/t25-/m0/s1 | 別名: | N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxa
mide | 定義日: | 2009-11-18 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[4-methyl-3-[[6-[2-[(1R,2S)-1-methylpyrrolidin-2-yl]ethylamino]pyridin-3-yl]carbonylamino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide |
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![KQD KQD](https://data.pdbj.org/pdbjplus/data/cc/svg/KQD.svg) | KQD | 表記: | (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami
de} | 組成式: | C56 H56 N6 O6 | SMILES: | C(=O)(c1ccc(cc1)C(N6CC(C(=O)NC2CC2c3ccccc3)C(C(=O)NC4CC4c5ccccc5)C6)=O)N9CC(C(=O)NC7CC7c8ccccc8)C(C9)C(=O)NC%10CC%10c%11ccccc%11 | InChi: | InChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1 | 別名: | Diprovocim | 定義日: | 2019-01-03 | 最終更新日: | 2020-06-17 | 公開日: | 2019-04-17 | 識別子(ID): | (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide} |
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![KR2 KR2](https://data.pdbj.org/pdbjplus/data/cc/svg/KR2.svg) | KR2 | 表記: | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | 組成式: | C22 H24 F3 N3 O2 | SMILES: | O=C(N2N(C(=O)c1ccccc1)CCCCC2)CC(N)Cc3cc(F)c(F)cc3F | InChi: | InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1 | 別名: | (R)-3-AMINO-1-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE | 定義日: | 2007-01-24 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R)-4-oxo-4-[2-(phenylcarbonyl)-1,2-diazepan-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine |
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![KRS KRS](https://data.pdbj.org/pdbjplus/data/cc/svg/KRS.svg) | KRS | 表記: | cladosporin | 組成式: | C16 H20 O5 | SMILES: | O=C3OC(CC1OC(CCC1)C)Cc2cc(O)cc(O)c23 | InChi: | InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1 | 別名: | (3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one | 定義日: | 2014-02-08 | 最終更新日: | 2020-06-17 | 公開日: | 2014-07-16 | 識別子(ID): | (3R)-6,8-dihydroxy-3-{[(2R,6S)-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-one |
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![KSG KSG](https://data.pdbj.org/pdbjplus/data/cc/svg/KSG.svg) | KSG | 表記: | (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL
2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE | 組成式: | C14 H25 N3 O9 | SMILES: | O=C(O)C(=[N@H])NC2C(OC(OC1C(O)C(O)C(O)C(O)C1O)C(N)C2)C | InChi: | InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-/m1/s1 | 別名: | KASUGAMYCIN | 定義日: | 2006-08-02 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[(Z)-carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranoside |
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![KTP KTP](https://data.pdbj.org/pdbjplus/data/cc/svg/KTP.svg) | KTP | 表記: | (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID | 組成式: | C22 H17 O4 P | SMILES: | O=C(c2cc1ccccc1cc2)C(c4cccc3ccccc34)P(=O)(O)O | InChi: | InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1 | 別名: | BIS-NAPTHYL BETA-KETOPHOSPHONIC ACID | 定義日: | 2002-02-14 | 最終更新日: | 2020-06-17 | 識別子(ID): | [(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxoethyl]phosphonic acid |
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![KTR KTR](https://data.pdbj.org/pdbjplus/data/cc/svg/KTR.svg) | KTR | 表記: | (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid | 組成式: | C15 H13 N O3 | SMILES: | O=C(O)C3c2ccc(C(=O)c1ccccc1)n2CC3 | InChi: | InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1 | 別名: | Ketorolac | 定義日: | 2012-08-30 | 最終更新日: | 2020-06-17 | 公開日: | 2012-09-14 | 識別子(ID): | (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid |
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![KU2 KU2](https://data.pdbj.org/pdbjplus/data/cc/svg/KU2.svg) | KU2 | 表記: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4
-carboxamide | 組成式: | C25 H25 Cl N4 O5 S | SMILES: | C(CSc1c(cccc1)Cl)(N4C(C=3NC(C(=C(C(=O)NCCOc2ccccc2)N=3)O)=O)CCC4)=O | InChi: | InChI=1S/C25H25ClN4O5S/c26-17-9-4-5-11-19(17)36-15-20(31)30-13-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-12-14-35-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1 | 別名: | SRI-30023 | 定義日: | 2017-06-27 | 最終更新日: | 2020-06-17 | 公開日: | 2017-12-27 | 識別子(ID): | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide |
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![KU3 KU3](https://data.pdbj.org/pdbjplus/data/cc/svg/KU3.svg) | KU3 | 表記: | (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone | 組成式: | C19 H17 F N2 O3 | SMILES: | CC(C)c3cc(C(N1Cc2c(C1)ccc(c2)F)=O)c(O)c4c3onc4 | InChi: | InChI=1S/C19H17FN2O3/c1-10(2)14-6-15(17(23)16-7-21-25-18(14)16)19(24)22-8-11-3-4-13(20)5-12(11)9-22/h3-7,10,23H,8-9H2,1-2H3 | 別名: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone | 定義日: | 2017-01-10 | 最終更新日: | 2020-06-17 | 公開日: | 2018-01-10 | 識別子(ID): | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone |
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![KV4 KV4](https://data.pdbj.org/pdbjplus/data/cc/svg/KV4.svg) | KV4 | 表記: | 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine | 組成式: | C27 H31 Cl N6 O3 S | SMILES: | C1(OC(C(C1O)O)n3c2ncnc(c2nc3)N)CSCCCCNCc4ccc(cc4)c5ccc(cc5)Cl | InChi: | InChI=1S/C27H31ClN6O3S/c28-20-9-7-19(8-10-20)18-5-3-17(4-6-18)13-30-11-1-2-12-38-14-21-23(35)24(36)27(37-21)34-16-33-22-25(29)31-15-32-26(22)34/h3-10,15-16,21,23-24,27,30,35-36H,1-2,11-14H2,(H2,29,31,32)/t21-,23-,24-,27-/m1/s1 | 別名: | SGC8158 | 定義日: | 2019-01-18 | 最終更新日: | 2020-06-17 | 公開日: | 2019-01-30 | 識別子(ID): | 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine |
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![FL1 FL1](https://data.pdbj.org/pdbjplus/data/cc/svg/FL1.svg) | FL1 | 表記: | 5-{[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONOTHIOYL]AMINO}-2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOIC ACID | 組成式: | C29 H23 N3 O7 S2 | SMILES: | O=S(=O)(N)c1ccc(cc1)CCNC(=S)Nc5ccc(C=2c4c(OC=3C=2C=CC(=O)C=3)cc(O)cc4)c(C(=O)O)c5 | InChi: | InChI=1S/C29H23N3O7S2/c30-41(37,38)20-6-1-16(2-7-20)11-12-31-29(40)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)39-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,37,38)(H2,31,32,40) | 別名: | (4-SULFAMOYLPHENYLETHYLTHIOUREIDO)FLUORESCEIN | 定義日: | 2005-11-18 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)benzoic acid |
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![FLD FLD](https://data.pdbj.org/pdbjplus/data/cc/svg/FLD.svg) | FLD | 表記: | BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-1,6-DIAMINE | 組成式: | C42 H48 N6 O2 | SMILES: | O(c3cc4c2c1c[n+](ccc1ccc2nc4cc3)CC[NH2+]CCCCCC[NH2+]CC[n+]5cc8c(cc5)ccc7c8c6c(ccc(OC)c6)n7)C | InChi: | InChI=1S/C42H44N6O2/c1-49-31-9-13-37-33(25-31)41-35-27-47(21-15-29(35)7-11-39(41)45-37)23-19-43-17-5-3-4-6-18-44-20-24-48-22-16-30-8-12-40-42(36(30)28-48)34-26-32(50-2)10-14-38(34)46-40/h7-16,21-22,25-28,43-44H,3-6,17-20,23-24H2,1-2H3/p+4 | 別名: | FLEXI-DI | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2,2'-[hexane-1,6-diylbis(ammonioethane-2,1-diyl)]bis(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium) |
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![FLF FLF](https://data.pdbj.org/pdbjplus/data/cc/svg/FLF.svg) | FLF | 表記: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | 組成式: | C14 H10 F3 N O2 | SMILES: | FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O | InChi: | InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | 別名: | FLUFENAMIC ACID | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |
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