![A2I A2I](https://data.pdbj.org/pdbjplus/data/cc/svg/A2I.svg) | A2I | Name: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenoxymethyl)phenyl]ethanamide | Formula: | C21 H21 N3 O2 S | SMILES: | Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccccc3)c2)n1 | InChi: | InChI=1S/C21H21N3O2S/c1-15-11-16(2)23-21(22-15)27-14-20(25)24-18-8-6-7-17(12-18)13-26-19-9-4-3-5-10-19/h3-12H,13-14H2,1-2H3,(H,24,25) | Definition date: | 2017-11-15 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[3-(phenoxymethyl)phenyl]ethanamide |
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![A2X A2X](https://data.pdbj.org/pdbjplus/data/cc/svg/A2X.svg) | A2X | Name: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide | Formula: | C20 H19 N3 O S2 | SMILES: | Cc1cc(C)nc(SCC(=O)Nc2ccc(Sc3ccccc3)cc2)n1 | InChi: | InChI=1S/C20H19N3OS2/c1-14-12-15(2)22-20(21-14)25-13-19(24)23-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,24) | Definition date: | 2017-11-15 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-(4-phenylsulfanylphenyl)ethanamide |
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![C30 C30](https://data.pdbj.org/pdbjplus/data/cc/svg/C30.svg) | C30 | Name: | 2-(acetylamino)-2-deoxy-1-O-[(S)-{[(R)-{[(2Z,6Z,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose | Formula: | C38 H65 N O12 P2 | SMILES: | CC(=CCC/C(C)=C/CCC(C)=[C@H]CC/C(C)=C/CCC(=[C@H]CCC(=C/COP(O)(=O)OP(=O)(O)OC1C(C(C(C(CO)O1)O)O)NC(C)=O)C)C)C | InChi: | InChI=1S/C38H65NO12P2/c1-27(2)14-9-15-28(3)16-10-17-29(4)18-11-19-30(5)20-12-21-31(6)22-13-23-32(7)24-25-48-52(44,45)51-53(46,47)50-38-35(39-33(8)41)37(43)36(42)34(26-40)49-38/h14,16,18,20,22,24,34-38,40,42-43H,9-13,15,17,19,21,23,25-26H2,1-8H3,(H,39,41)(H,44,45)(H,46,47)/b28-16+,29-18+,30-20+,31-22-,32-24-/t34-,35-,36-,37-,38-/m1/s1 | Definition date: | 2018-10-09 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | 2-(acetylamino)-2-deoxy-1-O-[(S)-{[(R)-{[(2Z,6Z,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose |
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![F5G F5G](https://data.pdbj.org/pdbjplus/data/cc/svg/F5G.svg) | F5G | Name: | (2R,3R,4S,5R,6S)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) | Formula: | C18 H28 N4 O16 P2 | SMILES: | C(OP(OP(OC1C(NC(=O)C)C(C(NC=O)C(C)O1)O)(=O)O)(O)=O)C3C(C(C(N2C(NC(C=C2)=O)=O)O3)O)O | InChi: | InChI=1S/C18H28N4O16P2/c1-7-11(19-6-23)14(27)12(20-8(2)24)17(35-7)37-40(32,33)38-39(30,31)34-5-9-13(26)15(28)16(36-9)22-4-3-10(25)21-18(22)29/h3-4,6-7,9,11-17,26-28H,5H2,1-2H3,(H,19,23)(H,20,24)(H,30,31)(H,32,33)(H,21,25,29)/t7-,9+,11-,12+,13+,14-,15+,16+,17+/m0/s1 | Definition date: | 2018-02-28 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | (2R,3R,4S,5R,6S)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![GJD GJD](https://data.pdbj.org/pdbjplus/data/cc/svg/GJD.svg) | GJD | Name: | 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide | Formula: | C12 H18 N6 O2 | SMILES: | c1(nc(N)c(C(=O)N)cn1)N2CC(NC(CC)=O)CC2 | InChi: | InChI=1S/C12H18N6O2/c1-2-9(19)16-7-3-4-18(6-7)12-15-5-8(11(14)20)10(13)17-12/h5,7H,2-4,6H2,1H3,(H2,14,20)(H,16,19)(H2,13,15,17)/t7-/m0/s1 | Definition date: | 2018-05-23 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide |
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![GJG GJG](https://data.pdbj.org/pdbjplus/data/cc/svg/GJG.svg) | GJG | Name: | 6-(cyclohexylamino)pyridine-3-carboxamide | Formula: | C12 H17 N3 O | SMILES: | n1cc(ccc1NC2CCCCC2)C(=O)N | InChi: | InChI=1S/C12H17N3O/c13-12(16)9-6-7-11(14-8-9)15-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H2,13,16)(H,14,15) | Definition date: | 2018-05-23 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | 6-(cyclohexylamino)pyridine-3-carboxamide |
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![GKY GKY](https://data.pdbj.org/pdbjplus/data/cc/svg/GKY.svg) | GKY | Name: | N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine | Formula: | C23 H33 N O2 | SMILES: | c1(ccc(c(c1)OCCc2ccccc2)OC)CCN(CCC)CCC | InChi: | InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3 | Definition date: | 2018-05-29 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine |
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![GM4 GM4](https://data.pdbj.org/pdbjplus/data/cc/svg/GM4.svg) | GM4 | Name: | (2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol | Formula: | C19 H27 N O | SMILES: | C1(C)C2(c3c(CC1N(CC2)C[C@H]=C(C)C)ccc(c3)O)C | InChi: | InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1 | Definition date: | 2018-05-29 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | (2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol |
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![GMJ GMJ](https://data.pdbj.org/pdbjplus/data/cc/svg/GMJ.svg) | GMJ | Name: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one | Formula: | C21 H23 Cl F N O2 | SMILES: | C(CC(c1ccc(F)cc1)=O)CN2CCC(O)(CC2)c3ccc(cc3)Cl | InChi: | InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | Definition date: | 2018-05-30 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
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![BKJ BKJ](https://data.pdbj.org/pdbjplus/data/cc/svg/BKJ.svg) | BKJ | Name: | 1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one | Formula: | C26 H28 N6 O2 | SMILES: | C6CC(n5c1CCN(C(C)=O)Cc1c(c2cccc3c2cnc(c3)c4cnn(c4)C)n5)CCO6 | InChi: | InChI=1S/C26H28N6O2/c1-17(33)31-9-6-25-23(16-31)26(29-32(25)20-7-10-34-11-8-20)21-5-3-4-18-12-24(27-14-22(18)21)19-13-28-30(2)15-19/h3-5,12-15,20H,6-11,16H2,1-2H3 | Definition date: | 2017-08-09 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | 1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one |
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![GQ5 GQ5](https://data.pdbj.org/pdbjplus/data/cc/svg/GQ5.svg) | GQ5 | Name: | 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide | Formula: | C22 H24 N6 O | SMILES: | C[CH]1CCCN1Cc2[nH]c3cc(NC(=O)c4ccc5n(C)ncc5c4)ccc3n2 | InChi: | InChI=1S/C22H24N6O/c1-14-4-3-9-28(14)13-21-25-18-7-6-17(11-19(18)26-21)24-22(29)15-5-8-20-16(10-15)12-23-27(20)2/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,24,29)(H,25,26)/t14-/m0/s1 | Definition date: | 2018-10-02 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide |
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![GQ8 GQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/GQ8.svg) | GQ8 | Name: | 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide | Formula: | C24 H26 N6 O | SMILES: | C[CH]1CCCN1Cc2[nH]c3cc(NC(=O)c4ccc5n(ncc5c4)C6CC6)ccc3n2 | InChi: | InChI=1S/C24H26N6O/c1-15-3-2-10-29(15)14-23-27-20-8-5-18(12-21(20)28-23)26-24(31)16-4-9-22-17(11-16)13-25-30(22)19-6-7-19/h4-5,8-9,11-13,15,19H,2-3,6-7,10,14H2,1H3,(H,26,31)(H,27,28)/t15-/m0/s1 | Definition date: | 2018-10-02 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide |
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![GUQ GUQ](https://data.pdbj.org/pdbjplus/data/cc/svg/GUQ.svg) | GUQ | Name: | 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione | Formula: | C18 H13 N3 O3 S | SMILES: | COc1ccccc1C2=C(Nc3sc4ccccc4n3)C(=O)NC2=O | InChi: | InChI=1S/C18H13N3O3S/c1-24-12-8-4-2-6-10(12)14-15(17(23)21-16(14)22)20-18-19-11-7-3-5-9-13(11)25-18/h2-9H,1H3,(H2,19,20,21,22,23) | Definition date: | 2018-10-10 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione |
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![L55 L55](https://data.pdbj.org/pdbjplus/data/cc/svg/L55.svg) | L55 | Name: | N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide | Formula: | C26 H26 N6 O3 S | SMILES: | Cn1cc(cn1)C(=O)Nc2cccc(OCc3cccc(NC(=O)CSc4nc(C)cc(C)n4)c3)c2 | InChi: | InChI=1S/C26H26N6O3S/c1-17-10-18(2)29-26(28-17)36-16-24(33)30-21-7-4-6-19(11-21)15-35-23-9-5-8-22(12-23)31-25(34)20-13-27-32(3)14-20/h4-14H,15-16H2,1-3H3,(H,30,33)(H,31,34) | Definition date: | 2017-11-15 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | ~{N}-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide |
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![L5C L5C](https://data.pdbj.org/pdbjplus/data/cc/svg/L5C.svg) | L5C | Name: | N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide | Formula: | C26 H26 N6 O3 S | SMILES: | Cn1cc(cn1)C(=O)Nc2ccc(OCc3cccc(NC(=O)CSc4nc(C)cc(C)n4)c3)cc2 | InChi: | InChI=1S/C26H26N6O3S/c1-17-11-18(2)29-26(28-17)36-16-24(33)30-22-6-4-5-19(12-22)15-35-23-9-7-21(8-10-23)31-25(34)20-13-27-32(3)14-20/h4-14H,15-16H2,1-3H3,(H,30,33)(H,31,34) | Definition date: | 2017-11-15 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | ~{N}-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide |
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![8W0 8W0](https://data.pdbj.org/pdbjplus/data/cc/svg/8W0.svg) | 8W0 | Name: | propyl (3~{S})-4-[[(6~{R})-6-(aminomethyl)-5,6,7,8-tetrahydroacridin-3-yl]carbonyl]-3-methyl-piperazine-1-carboxylate | Formula: | C24 H32 N4 O3 | SMILES: | CCCOC(=O)N1CCN([CH](C)C1)C(=O)c2ccc3cc4CC[CH](CN)Cc4nc3c2 | InChi: | InChI=1S/C24H32N4O3/c1-3-10-31-24(30)27-8-9-28(16(2)15-27)23(29)20-7-6-19-12-18-5-4-17(14-25)11-21(18)26-22(19)13-20/h6-7,12-13,16-17H,3-5,8-11,14-15,25H2,1-2H3/t16-,17+/m0/s1 | Definition date: | 2017-10-12 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | propyl (3~{S})-4-[[(6~{R})-6-(aminomethyl)-5,6,7,8-tetrahydroacridin-3-yl]carbonyl]-3-methyl-piperazine-1-carboxylate |
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![D0V D0V](https://data.pdbj.org/pdbjplus/data/cc/svg/D0V.svg) | D0V | Name: | (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one | Formula: | C26 H19 Cl F N3 O2 S2 | SMILES: | C=1(C(=O)NC(CC=1O)(c2ccsc2)c3cccc(n3)Nc4ccc(cc4)F)Sc5ccccc5Cl | InChi: | InChI=1S/C26H19ClFN3O2S2/c27-19-4-1-2-5-21(19)35-24-20(32)14-26(31-25(24)33,16-12-13-34-15-16)22-6-3-7-23(30-22)29-18-10-8-17(28)9-11-18/h1-13,15,32H,14H2,(H,29,30)(H,31,33)/t26-/m1/s1 | Definition date: | 2017-10-13 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one |
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![D0Y D0Y](https://data.pdbj.org/pdbjplus/data/cc/svg/D0Y.svg) | D0Y | Name: | (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one | Formula: | C27 H19 Cl F N O3 S2 | SMILES: | C=1(C(=O)OC(CC=1O)(c3cc(Nc2ccc(cc2)F)ccc3)c4ccsc4)Sc5ccccc5Cl | InChi: | InChI=1S/C27H19ClFNO3S2/c28-22-6-1-2-7-24(22)35-25-23(31)15-27(33-26(25)32,18-12-13-34-16-18)17-4-3-5-21(14-17)30-20-10-8-19(29)9-11-20/h1-14,16,30-31H,15H2/t27-/m1/s1 | Definition date: | 2017-10-13 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | (6R)-3-[(2-chlorophenyl)sulfanyl]-6-{3-[(4-fluorophenyl)amino]phenyl}-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one |
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![JXD JXD](https://data.pdbj.org/pdbjplus/data/cc/svg/JXD.svg) | JXD | Name: | 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-mannopyranosyl]-2-deoxy-1-O-[(S)-{[(R)-{[(2Z,6Z,10Z,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose | Formula: | C46 H78 N2 O17 P2 | SMILES: | C1(O)C(O)C(C(OC1CO)OC2C(O)C(C(OC2CO)OP(=O)(OP(O)(OC[C@H]=C(CC[C@H]=C(C)CC[C@H]=C(CCC=C(CCC=C(/C)CC[C@H]=C(C)C)C)C)C)=O)O)NC(C)=O)NC(C)=O | InChi: | InChI=1S/C46H78N2O17P2/c1-29(2)15-10-16-30(3)17-11-18-31(4)19-12-20-32(5)21-13-22-33(6)23-14-24-34(7)25-26-60-66(56,57)65-67(58,59)64-46-40(48-36(9)52)43(55)44(38(28-50)62-46)63-45-39(47-35(8)51)42(54)41(53)37(27-49)61-45/h15,17,19,21,23,25,37-46,49-50,53-55H,10-14,16,18,20,22,24,26-28H2,1-9H3,(H,47,51)(H,48,52)(H,56,57)(H,58,59)/b30-17+,31-19+,32-21-,33-23-,34-25-/t37-,38-,39+,40-,41-,42-,43-,44-,45+,46-/m1/s1 | Definition date: | 2018-10-09 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-mannopyranosyl]-2-deoxy-1-O-[(S)-{[(R)-{[(2Z,6Z,10Z,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose |
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![FVK FVK](https://data.pdbj.org/pdbjplus/data/cc/svg/FVK.svg) | FVK | Name: | ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide | Formula: | C16 H25 N3 O5 | SMILES: | O[CH](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2 | InChi: | InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)/t14-/m0/s1 | Definition date: | 2018-07-31 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide |
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![FVN FVN](https://data.pdbj.org/pdbjplus/data/cc/svg/FVN.svg) | FVN | Name: | ~{N}-[5-[(1~{S})-2-[[(2~{S})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide | Formula: | C19 H24 N2 O4 | SMILES: | COc1ccc(C[CH](C)NC[CH](O)c2ccc(O)c(NC=O)c2)cc1 | InChi: | InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m0/s1 | Definition date: | 2018-07-31 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | ~{N}-[5-[(1~{S})-2-[[(2~{S})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide |
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![DUE DUE](https://data.pdbj.org/pdbjplus/data/cc/svg/DUE.svg) | DUE | Name: | (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid | Formula: | C26 H28 N6 O6 S2 | SMILES: | NCc1ccc(cc1)c2cc3ccoc3c(c2)[S](=O)(=O)Nc4ccsc4C(=O)N[CH](CCCNC(N)=N)C(O)=O | InChi: | InChI=1S/C26H28N6O6S2/c27-14-15-3-5-16(6-4-15)18-12-17-7-10-38-22(17)21(13-18)40(36,37)32-19-8-11-39-23(19)24(33)31-20(25(34)35)2-1-9-30-26(28)29/h3-8,10-13,20,32H,1-2,9,14,27H2,(H,31,33)(H,34,35)(H4,28,29,30)/t20-/m0/s1 | Definition date: | 2018-01-31 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | (2~{S})-2-[[3-[[5-[4-(aminomethyl)phenyl]-1-benzofuran-7-yl]sulfonylamino]thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid |
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![J9S J9S](https://data.pdbj.org/pdbjplus/data/cc/svg/J9S.svg) | J9S | Name: | N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine | Formula: | C25 H23 N3 O7 S2 | SMILES: | N(C(c1c(cccc1)OC)C(N(Cc2cccs2)CC(=O)O)=O)S(c4cc3c(NC(=O)C=C3)cc4)(=O)=O | InChi: | InChI=1S/C25H23N3O7S2/c1-35-21-7-3-2-6-19(21)24(25(32)28(15-23(30)31)14-17-5-4-12-36-17)27-37(33,34)18-9-10-20-16(13-18)8-11-22(29)26-20/h2-13,24,27H,14-15H2,1H3,(H,26,29)(H,30,31)/t24-/m0/s1 | Definition date: | 2018-08-27 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine |
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![J9V J9V](https://data.pdbj.org/pdbjplus/data/cc/svg/J9V.svg) | J9V | Name: | N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine | Formula: | C25 H23 N3 O7 S2 | SMILES: | N(C(c1c(cccc1)OC)C(N(Cc2cccs2)CC(O)=O)=O)S(c4cc3c(NC(=O)C=C3)cc4)(=O)=O | InChi: | InChI=1S/C25H23N3O7S2/c1-35-21-7-3-2-6-19(21)24(25(32)28(15-23(30)31)14-17-5-4-12-36-17)27-37(33,34)18-9-10-20-16(13-18)8-11-22(29)26-20/h2-13,24,27H,14-15H2,1H3,(H,26,29)(H,30,31)/t24-/m1/s1 | Definition date: | 2018-08-27 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine |
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![JA4 JA4](https://data.pdbj.org/pdbjplus/data/cc/svg/JA4.svg) | JA4 | Name: | N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine | Formula: | C25 H22 Cl N3 O7 S2 | SMILES: | C2=Cc1cc(c(Cl)cc1NC2=O)S(NC(c3ccccc3OC)C(=O)N(CC(=O)O)Cc4cccs4)(=O)=O | InChi: | InChI=1S/C25H22ClN3O7S2/c1-36-20-7-3-2-6-17(20)24(25(33)29(14-23(31)32)13-16-5-4-10-37-16)28-38(34,35)21-11-15-8-9-22(30)27-19(15)12-18(21)26/h2-12,24,28H,13-14H2,1H3,(H,27,30)(H,31,32)/t24-/m1/s1 | Definition date: | 2018-08-27 | Last modified: | 2018-10-12 | Release date: | 2018-10-17 | Identifier: | N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine |
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