![NX8 NX8](https://data.pdbj.org/pdbjplus/data/cc/svg/NX8.svg) | NX8 | Name: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide | Formula: | C16 H23 N7 O4 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC4CCNCC4 | InChi: | InChI=1S/C16H23N7O4/c17-13-9-14(21-6-20-13)23(7-22-9)16-11(25)10(24)12(27-16)15(26)19-5-8-1-3-18-4-2-8/h6-8,10-12,16,18,24-25H,1-5H2,(H,19,26)(H2,17,20,21)/t10-,11+,12-,16+/m0/s1 | Definition date: | 2020-01-02 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide |
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![NXB NXB](https://data.pdbj.org/pdbjplus/data/cc/svg/NXB.svg) | NXB | Name: | (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol | Formula: | C11 H16 N6 O3 | SMILES: | N[CH]1CO[CH](Cn2cnc3c(N)ncnc23)[CH](O)[CH]1O | InChi: | InChI=1S/C11H16N6O3/c12-5-2-20-6(9(19)8(5)18)1-17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,18-19H,1-2,12H2,(H2,13,14,15)/t5-,6-,8-,9+/m1/s1 | Definition date: | 2020-01-02 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol |
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![NJ5 NJ5](https://data.pdbj.org/pdbjplus/data/cc/svg/NJ5.svg) | NJ5 | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate | Formula: | C25 H42 N4 O18 P2 | SMILES: | CCCC(=O)NCCCCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O | InChi: | InChI=1S/C25H42N4O18P2/c1-2-6-15(31)26-9-5-3-4-7-16(32)27-18-21(36)19(34)13(11-30)45-24(18)46-49(41,42)47-48(39,40)43-12-14-20(35)22(37)23(44-14)29-10-8-17(33)28-25(29)38/h8,10,13-14,18-24,30,34-37H,2-7,9,11-12H2,1H3,(H,26,31)(H,27,32)(H,39,40)(H,41,42)(H,28,33,38)/t13-,14-,18-,19-,20-,21-,22-,23-,24-/m1/s1 | Definition date: | 2019-11-29 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate |
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![NL7 NL7](https://data.pdbj.org/pdbjplus/data/cc/svg/NL7.svg) | NL7 | Name: | 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid | Formula: | C12 H12 N2 O6 S2 | SMILES: | c1cc(S(=O)(=O)O)ccc1S(Nc2cc(OC)cnc2)(=O)=O | InChi: | InChI=1S/C12H12N2O6S2/c1-20-10-6-9(7-13-8-10)14-21(15,16)11-2-4-12(5-3-11)22(17,18)19/h2-8,14H,1H3,(H,17,18,19) | Definition date: | 2019-05-20 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid |
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![N6Z N6Z](https://data.pdbj.org/pdbjplus/data/cc/svg/N6Z.svg) | N6Z | Name: | ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide | Formula: | C27 H29 F2 N5 O3 | SMILES: | CCC(=O)N(C)CCOc1c(N)ncnc1c2cc(F)cc(NC(=O)c3ccc(cc3F)C4CC4)c2C | InChi: | InChI=1S/C27H29F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h7-8,11-14,16H,4-6,9-10H2,1-3H3,(H,33,36)(H2,30,31,32) | Definition date: | 2019-11-14 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide |
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![NLJ NLJ](https://data.pdbj.org/pdbjplus/data/cc/svg/NLJ.svg) | NLJ | Name: | 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid | Formula: | C12 H12 N2 O6 S2 | SMILES: | c1(ccc(cc1)S(=O)(=O)O)S(Nc2c(nccc2)OC)(=O)=O | InChi: | InChI=1S/C12H12N2O6S2/c1-20-12-11(3-2-8-13-12)14-21(15,16)9-4-6-10(7-5-9)22(17,18)19/h2-8,14H,1H3,(H,17,18,19) | Definition date: | 2019-05-20 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid |
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![NLM NLM](https://data.pdbj.org/pdbjplus/data/cc/svg/NLM.svg) | NLM | Name: | 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid | Formula: | C11 H9 Cl N2 O5 S2 | SMILES: | N(S(c1ccc(cc1)S(=O)(=O)O)(=O)=O)c2ncccc2Cl | InChi: | InChI=1S/C11H9ClN2O5S2/c12-10-2-1-7-13-11(10)14-20(15,16)8-3-5-9(6-4-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19) | Definition date: | 2019-05-20 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid |
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![NLS NLS](https://data.pdbj.org/pdbjplus/data/cc/svg/NLS.svg) | NLS | Name: | 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid | Formula: | C11 H9 F N2 O5 S2 | SMILES: | N(c1nc(F)ccc1)S(c2ccc(S(=O)(=O)O)cc2)(=O)=O | InChi: | InChI=1S/C11H9FN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19) | Definition date: | 2019-05-20 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid |
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![NLV NLV](https://data.pdbj.org/pdbjplus/data/cc/svg/NLV.svg) | NLV | Name: | 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid | Formula: | C11 H9 Cl N2 O5 S2 | SMILES: | N(c1nc(Cl)ccc1)S(c2ccc(cc2)S(=O)(=O)O)(=O)=O | InChi: | InChI=1S/C11H9ClN2O5S2/c12-10-2-1-3-11(13-10)14-20(15,16)8-4-6-9(7-5-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19) | Definition date: | 2019-05-20 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid |
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![KJE KJE](https://data.pdbj.org/pdbjplus/data/cc/svg/KJE.svg) | KJE | Name: | 18-carboxymethoxy-cleaviminium | Formula: | C21 H25 N2 O2 | SMILES: | CCC1=C[CH]2C[CH](C(=O)OC)C3=Nc4ccccc4[CH]3CC[N+](=C1)C2 | InChi: | InChI=1S/C21H25N2O2/c1-3-14-10-15-11-18(21(24)25-2)20-17(8-9-23(12-14)13-15)16-6-4-5-7-19(16)22-20/h4-7,10,12,15,17-18H,3,8-9,11,13H2,1-2H3/q+1/t15-,17+,18+/m0/s1 | Definition date: | 2019-05-22 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 |
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![MJE MJE](https://data.pdbj.org/pdbjplus/data/cc/svg/MJE.svg) | MJE | Name: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid | Formula: | C20 H12 Cl2 N2 O3 S | SMILES: | Cc1sc2c(c1)n(nc2c3ccc(cc3)C(O)=O)C(=O)c4c(Cl)cccc4Cl | InChi: | InChI=1S/C20H12Cl2N2O3S/c1-10-9-15-18(28-10)17(11-5-7-12(8-6-11)20(26)27)23-24(15)19(25)16-13(21)3-2-4-14(16)22/h2-9H,1H3,(H,26,27) | Definition date: | 2019-10-15 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid |
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![O8Q O8Q](https://data.pdbj.org/pdbjplus/data/cc/svg/O8Q.svg) | O8Q | Name: | 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide | Formula: | C36 H41 Cl N6 O3 | SMILES: | Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)NCCc4ccc(Cl)cc4)c5ccccc5 | InChi: | InChI=1S/C36H41ClN6O3/c37-29-18-13-26(14-19-29)21-22-39-36(46)32(20-15-25-7-3-1-4-8-25)42-34(44)28-16-11-27(12-17-28)23-40-35(45)31-24-41-43(33(31)38)30-9-5-2-6-10-30/h2,5-6,9-14,16-19,24-25,32H,1,3-4,7-8,15,20-23,38H2,(H,39,46)(H,40,45)(H,42,44)/t32-/m0/s1 | Definition date: | 2020-02-24 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
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![O8T O8T](https://data.pdbj.org/pdbjplus/data/cc/svg/O8T.svg) | O8T | Name: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide | Formula: | C34 H44 N6 O3 | SMILES: | Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)NC4CCCCC4)c5ccccc5 | InChi: | InChI=1S/C34H44N6O3/c35-31-29(23-37-40(31)28-14-8-3-9-15-28)33(42)36-22-25-16-19-26(20-17-25)32(41)39-30(21-18-24-10-4-1-5-11-24)34(43)38-27-12-6-2-7-13-27/h3,8-9,14-17,19-20,23-24,27,30H,1-2,4-7,10-13,18,21-22,35H2,(H,36,42)(H,38,43)(H,39,41)/t30-/m0/s1 | Definition date: | 2020-02-24 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
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![O8W O8W](https://data.pdbj.org/pdbjplus/data/cc/svg/O8W.svg) | O8W | Name: | 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide | Formula: | C32 H42 N6 O3 | SMILES: | CC[CH](C)NC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2 | InChi: | InChI=1S/C32H42N6O3/c1-3-22(2)36-32(41)28(19-16-23-10-6-4-7-11-23)37-30(39)25-17-14-24(15-18-25)20-34-31(40)27-21-35-38(29(27)33)26-12-8-5-9-13-26/h5,8-9,12-15,17-18,21-23,28H,3-4,6-7,10-11,16,19-20,33H2,1-2H3,(H,34,40)(H,36,41)(H,37,39)/t22-,28-/m0/s1 | Definition date: | 2020-02-24 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
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![O8Z O8Z](https://data.pdbj.org/pdbjplus/data/cc/svg/O8Z.svg) | O8Z | Name: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide | Formula: | C33 H44 N6 O3 | SMILES: | CC(C)CCNC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2 | InChi: | InChI=1S/C33H44N6O3/c1-23(2)19-20-35-33(42)29(18-15-24-9-5-3-6-10-24)38-31(40)26-16-13-25(14-17-26)21-36-32(41)28-22-37-39(30(28)34)27-11-7-4-8-12-27/h4,7-8,11-14,16-17,22-24,29H,3,5-6,9-10,15,18-21,34H2,1-2H3,(H,35,42)(H,36,41)(H,38,40)/t29-/m0/s1 | Definition date: | 2020-02-24 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
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![O98 O98](https://data.pdbj.org/pdbjplus/data/cc/svg/O98.svg) | O98 | Name: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide | Formula: | C33 H44 N6 O3 | SMILES: | CCC(CC)NC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2 | InChi: | InChI=1S/C33H44N6O3/c1-3-26(4-2)37-33(42)29(20-17-23-11-7-5-8-12-23)38-31(40)25-18-15-24(16-19-25)21-35-32(41)28-22-36-39(30(28)34)27-13-9-6-10-14-27/h6,9-10,13-16,18-19,22-23,26,29H,3-5,7-8,11-12,17,20-21,34H2,1-2H3,(H,35,41)(H,37,42)(H,38,40)/t29-/m0/s1 | Definition date: | 2020-02-24 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
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![PWV PWV](https://data.pdbj.org/pdbjplus/data/cc/svg/PWV.svg) | PWV | Name: | 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile | Formula: | C18 H15 Cl N4 O2 | SMILES: | O=C1C(=Cc2c(N1)ccc(c2)Cl)C(NC=3C(N(C(=CC=3)C#N)C)=O)C | InChi: | InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1 | Definition date: | 2019-08-27 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 5-{[(1S)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile |
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![QCG QCG](https://data.pdbj.org/pdbjplus/data/cc/svg/QCG.svg) | QCG | Name: | (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid | Formula: | C29 H30 F N3 O4 | SMILES: | c2(c1c(OCCC1)c(F)cc2c5c(c(C)nc4cc(c3ccccc3)nn45)C(C(O)=O)OC(C)(C)C)C | InChi: | InChI=1S/C29H30FN3O4/c1-16-19-12-9-13-36-26(19)21(30)14-20(16)25-24(27(28(34)35)37-29(3,4)5)17(2)31-23-15-22(32-33(23)25)18-10-7-6-8-11-18/h6-8,10-11,14-15,27H,9,12-13H2,1-5H3,(H,34,35)/t27-/m0/s1 | Definition date: | 2019-10-14 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid |
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![PZY PZY](https://data.pdbj.org/pdbjplus/data/cc/svg/PZY.svg) | PZY | Name: | 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid | Formula: | C30 H37 N3 O4 S2 | SMILES: | N(c1ccc(cc1C(O)=O)SCCc2ccccc2)S(N4CCN(Cc3ccc(cc3)C(C)(C)C)CC4)(=O)=O | InChi: | InChI=1S/C30H37N3O4S2/c1-30(2,3)25-11-9-24(10-12-25)22-32-16-18-33(19-17-32)39(36,37)31-28-14-13-26(21-27(28)29(34)35)38-20-15-23-7-5-4-6-8-23/h4-14,21,31H,15-20,22H2,1-3H3,(H,34,35) | Definition date: | 2019-08-30 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid |
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![Q01 Q01](https://data.pdbj.org/pdbjplus/data/cc/svg/Q01.svg) | Q01 | Name: | 2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid | Formula: | C30 H36 N4 O5 S2 | SMILES: | c1(ccccc1)NC(CCSc4cc(C(O)=O)c(NS(=O)(=O)N3CCN(c2ccc(C(C)(C)C)cc2)CC3)cc4)=O | InChi: | InChI=1S/C30H36N4O5S2/c1-30(2,3)22-9-11-24(12-10-22)33-16-18-34(19-17-33)41(38,39)32-27-14-13-25(21-26(27)29(36)37)40-20-15-28(35)31-23-7-5-4-6-8-23/h4-14,21,32H,15-20H2,1-3H3,(H,31,35)(H,36,37) | Definition date: | 2019-08-30 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 2-({[4-(4-tert-butylphenyl)piperazin-1-yl]sulfonyl}amino)-5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}benzoic acid |
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![Q0A Q0A](https://data.pdbj.org/pdbjplus/data/cc/svg/Q0A.svg) | Q0A | Name: | 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid | Formula: | C26 H28 F N3 O4 S2 | SMILES: | c4(c(NS(=O)(N2CCN(Cc1ccc(cc1)F)CC2)=O)ccc(SCCc3ccccc3)c4)C(O)=O | InChi: | InChI=1S/C26H28FN3O4S2/c27-22-8-6-21(7-9-22)19-29-13-15-30(16-14-29)36(33,34)28-25-11-10-23(18-24(25)26(31)32)35-17-12-20-4-2-1-3-5-20/h1-11,18,28H,12-17,19H2,(H,31,32) | Definition date: | 2019-08-30 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid |
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![Q0D Q0D](https://data.pdbj.org/pdbjplus/data/cc/svg/Q0D.svg) | Q0D | Name: | 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid | Formula: | C25 H21 N O4 S2 | SMILES: | c1(cc(ccc1NS(c3cc2ccccc2cc3)(=O)=O)SCCc4ccccc4)C(O)=O | InChi: | InChI=1S/C25H21NO4S2/c27-25(28)23-17-21(31-15-14-18-6-2-1-3-7-18)11-13-24(23)26-32(29,30)22-12-10-19-8-4-5-9-20(19)16-22/h1-13,16-17,26H,14-15H2,(H,27,28) | Definition date: | 2019-08-30 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid |
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![Q0G Q0G](https://data.pdbj.org/pdbjplus/data/cc/svg/Q0G.svg) | Q0G | Name: | 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid | Formula: | C25 H27 N3 O4 S2 | SMILES: | C2CN(c1ccccc1)CCN2S(=O)(=O)Nc4ccc(SCCc3ccccc3)cc4C(=O)O | InChi: | InChI=1S/C25H27N3O4S2/c29-25(30)23-19-22(33-18-13-20-7-3-1-4-8-20)11-12-24(23)26-34(31,32)28-16-14-27(15-17-28)21-9-5-2-6-10-21/h1-12,19,26H,13-18H2,(H,29,30) | Definition date: | 2019-08-30 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid |
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![LKY LKY](https://data.pdbj.org/pdbjplus/data/cc/svg/LKY.svg) | LKY | Name: | 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide | Formula: | C27 H31 F N4 O2 | SMILES: | c1(c(cc(cc1CN2CC(C)N(CC2)C(C3CCCC3)=O)F)NC(=O)c4cc(ccc4)C#N)C | InChi: | InChI=1S/C27H31FN4O2/c1-18-16-31(10-11-32(18)27(34)21-7-3-4-8-21)17-23-13-24(28)14-25(19(23)2)30-26(33)22-9-5-6-20(12-22)15-29/h5-6,9,12-14,18,21H,3-4,7-8,10-11,16-17H2,1-2H3,(H,30,33)/t18-/m0/s1 | Definition date: | 2019-02-28 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide |
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![Q3Y Q3Y](https://data.pdbj.org/pdbjplus/data/cc/svg/Q3Y.svg) | Q3Y | Name: | (3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid | Formula: | C23 H21 Cl F N3 O4 | SMILES: | n1(nc(c2c(F)cccc12)N3CC(C(C(=O)O)CC3)O)C(c4c(cccc4C5CC5)Cl)=O | InChi: | InChI=1S/C23H21ClFN3O4/c24-15-4-1-3-13(12-7-8-12)19(15)22(30)28-17-6-2-5-16(25)20(17)21(26-28)27-10-9-14(23(31)32)18(29)11-27/h1-6,12,14,18,29H,7-11H2,(H,31,32)/t14-,18-/m1/s1 | Definition date: | 2019-09-19 | Last modified: | 2020-02-28 | Release date: | 2020-03-04 | Identifier: | (3S,4R)-1-[1-(2-chloro-6-cyclopropylbenzene-1-carbonyl)-4-fluoro-1H-indazol-3-yl]-3-hydroxypiperidine-4-carboxylic acid |
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