![HKH HKH](https://data.pdbj.org/pdbjplus/data/cc/svg/HKH.svg) | HKH | Name: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide | Formula: | C23 H27 F N2 O4 S | SMILES: | CC(C)C[CH](NC(=O)c1ccc(cc1)c2sccc2)C(=O)N3C[CH](F)[CH]4OC[CH](O)[CH]34 | InChi: | InChI=1S/C23H27FN2O4S/c1-13(2)10-17(23(29)26-11-16(24)21-20(26)18(27)12-30-21)25-22(28)15-7-5-14(6-8-15)19-4-3-9-31-19/h3-9,13,16-18,20-21,27H,10-12H2,1-2H3,(H,25,28)/t16-,17-,18-,20+,21+/m0/s1 | Definition date: | 2019-02-01 | Last modified: | 2020-02-14 | Release date: | 2020-02-19 | Identifier: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide |
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![J5N J5N](https://data.pdbj.org/pdbjplus/data/cc/svg/J5N.svg) | J5N | Name: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | Formula: | C29 H36 F N5 O4 S | SMILES: | CC(C)C[CH](NC(=O)c1ccc(cc1)c2nc(sc2F)N3CCN(C)CC3)C(=O)N4C[CH](C#C)[CH]5OC[CH](O)[CH]45 | InChi: | InChI=1S/C29H36FN5O4S/c1-5-18-15-35(24-22(36)16-39-25(18)24)28(38)21(14-17(2)3)31-27(37)20-8-6-19(7-9-20)23-26(30)40-29(32-23)34-12-10-33(4)11-13-34/h1,6-9,17-18,21-22,24-25,36H,10-16H2,2-4H3,(H,31,37)/t18-,21+,22+,24-,25-/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2020-02-14 | Release date: | 2020-02-19 | Identifier: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide |
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![J5T J5T](https://data.pdbj.org/pdbjplus/data/cc/svg/J5T.svg) | J5T | Name: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{S})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | Formula: | C27 H35 Cl F N5 O4 S | SMILES: | CC(C)C[CH](NC(=O)c1ccc(cc1)c2nc(sc2F)N3CCN(C)CC3)C(=O)N4C[CH](Cl)[CH]5OC[CH](O)[CH]45 | InChi: | InChI=1S/C27H35ClFN5O4S/c1-15(2)12-19(26(37)34-13-18(28)23-22(34)20(35)14-38-23)30-25(36)17-6-4-16(5-7-17)21-24(29)39-27(31-21)33-10-8-32(3)9-11-33/h4-7,15,18-20,22-23,35H,8-14H2,1-3H3,(H,30,36)/t18-,19+,20+,22-,23-/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2020-02-14 | Release date: | 2020-02-19 | Identifier: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{S})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide |
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![J6B J6B](https://data.pdbj.org/pdbjplus/data/cc/svg/J6B.svg) | J6B | Name: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | Formula: | C27 H37 F N6 O4 S | SMILES: | CC(C)C[CH](NC(=O)c1ccc(c(F)c1)c2csc(n2)N3CCN(C)CC3)C(=O)N4C[CH](N)[CH]5OC[CH](O)[CH]45 | InChi: | InChI=1S/C27H37FN6O4S/c1-15(2)10-20(26(37)34-12-19(29)24-23(34)22(35)13-38-24)30-25(36)16-4-5-17(18(28)11-16)21-14-39-27(31-21)33-8-6-32(3)7-9-33/h4-5,11,14-15,19-20,22-24,35H,6-10,12-13,29H2,1-3H3,(H,30,36)/t19-,20+,22+,23-,24-/m1/s1 | Definition date: | 2019-02-01 | Last modified: | 2020-02-14 | Release date: | 2020-02-19 | Identifier: | ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide |
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![BV0 BV0](https://data.pdbj.org/pdbjplus/data/cc/svg/BV0.svg) | BV0 | Name: | 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide | Formula: | C24 H25 N6 O3 | SMILES: | CC1=CC=CN2C(=O)c3cc(C(=O)NCc4cccnc4)c(N)[n+](C[CH]5CCCO5)c3N=C12 | InChi: | InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)/p+1/t17-/m1/s1 | Definition date: | 2019-03-08 | Last modified: | 2020-02-14 | Release date: | 2020-02-19 | Identifier: | 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2~{R})-oxolan-2-yl]methyl]-~{N}-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide |
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![AMD AMD](https://data.pdbj.org/pdbjplus/data/cc/svg/AMD.svg) | AMD | Name: | ASPARTYL-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | Formula: | C14 H19 N6 O9 P | SMILES: | O=C(O)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O | InChi: | InChI=1S/C14H19N6O9P/c15-6(1-10(22)23)14(24)29-30(25,26)27-3-8-7(21)2-9(28-8)20-5-19-11-12(16)17-4-18-13(11)20/h4-9,21H,1-3,15H2,(H,22,23)(H,25,26)(H2,16,17,18)/t6-,7-,8+,9+/m0/s1 | Definition date: | 1999-07-20 | Last modified: | 2020-02-14 | Identifier: | 5'-O-[(S)-{[(2S)-2-amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine |
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![DZJ DZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/DZJ.svg) | DZJ | Name: | 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one | Formula: | C17 H11 Cl N2 O2 S | SMILES: | c1(ccc2c(c1)SC=4N2C(=O)C(Cc3ccccc3)=C(O)N=4)Cl | InChi: | InChI=1S/C17H11ClN2O2S/c18-11-6-7-13-14(9-11)23-17-19-15(21)12(16(22)20(13)17)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2 | Definition date: | 2017-11-17 | Last modified: | 2020-02-14 | Release date: | 2017-12-13 | Identifier: | 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
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![E1C E1C](https://data.pdbj.org/pdbjplus/data/cc/svg/E1C.svg) | E1C | Name: | 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid | Formula: | C10 H16 N2 O4 S | SMILES: | CCc1n(C)c(CC)c(c1C(O)=O)[S](N)(=O)=O | InChi: | InChI=1S/C10H16N2O4S/c1-4-6-8(10(13)14)9(17(11,15)16)7(5-2)12(6)3/h4-5H2,1-3H3,(H,13,14)(H2,11,15,16) | Definition date: | 2019-10-01 | Last modified: | 2020-02-14 | Release date: | 2020-02-19 | Identifier: | 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid |
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![E7F E7F](https://data.pdbj.org/pdbjplus/data/cc/svg/E7F.svg) | E7F | Name: | 1-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one | Formula: | C21 H24 O10 | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc(O)c(C(=O)CCc3ccc(O)cc3)c2O | InChi: | InChI=1S/C21H24O10/c22-8-14-17(27)19(29)20(30)21(31-14)16-13(26)7-12(25)15(18(16)28)11(24)6-3-9-1-4-10(23)5-2-9/h1-2,4-5,7,14,17,19-23,25-30H,3,6,8H2/t14-,17-,19+,20-,21+/m1/s1 | Definition date: | 2019-11-10 | Last modified: | 2020-02-14 | Release date: | 2020-02-19 | Identifier: | 1-[3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one |
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![STT STT](https://data.pdbj.org/pdbjplus/data/cc/svg/STT.svg) | STT | Name: | 2-[(5~{E})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid | Formula: | C27 H20 F N3 O5 S3 | SMILES: | O[S](=O)(=O)CCN1C(=S)SC(=Cc2cn(nc2c3ccc(Oc4ccccc4F)cc3)c5ccccc5)C1=O | InChi: | InChI=1S/C27H20FN3O5S3/c28-22-8-4-5-9-23(22)36-21-12-10-18(11-13-21)25-19(17-31(29-25)20-6-2-1-3-7-20)16-24-26(32)30(27(37)38-24)14-15-39(33,34)35/h1-13,16-17H,14-15H2,(H,33,34,35)/b24-16+ | Definition date: | 2008-11-17 | Last modified: | 2020-02-13 | Identifier: | 2-[(5~{E})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid |
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![PXK PXK](https://data.pdbj.org/pdbjplus/data/cc/svg/PXK.svg) | PXK | Name: | 6-(4,4-dimethylpent-2-ynyl)-4~{H}-pyrrolo[2,3-d][1,3]thiazole | Formula: | C12 H14 N2 S | SMILES: | CC(C)(C)C#CCc1c[nH]c2ncsc12 | InChi: | InChI=1S/C12H14N2S/c1-12(2,3)6-4-5-9-7-13-11-10(9)15-8-14-11/h7-8,13H,5H2,1-3H3 | Definition date: | 2010-12-16 | Last modified: | 2020-02-13 | Identifier: | 6-(4,4-dimethylpent-2-ynyl)-4~{H}-pyrrolo[2,3-d][1,3]thiazole |
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![2WE 2WE](https://data.pdbj.org/pdbjplus/data/cc/svg/2WE.svg) | 2WE | Name: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide | Formula: | C14 H14 N4 O3 S | SMILES: | COc1nc(sc1C(N)=O)c2ccnc(NC(=O)C3CC3)c2 | InChi: | InChI=1S/C14H14N4O3S/c1-21-13-10(11(15)19)22-14(18-13)8-4-5-16-9(6-8)17-12(20)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,19)(H,16,17,20) | Definition date: | 2014-03-11 | Last modified: | 2020-02-13 | Release date: | 2015-04-08 | Identifier: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide |
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![CZ6 CZ6](https://data.pdbj.org/pdbjplus/data/cc/svg/CZ6.svg) | CZ6 | Name: | 2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{S})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid | Formula: | C16 H25 B N4 O6 S | SMILES: | C[CH]1CC(C)(C)OB(CNC(=O)C(=NOC(C)(C)C(O)=O)c2csc(N)n2)O1 | InChi: | InChI=1S/C16H25BN4O6S/c1-9-6-15(2,3)26-17(25-9)8-19-12(22)11(10-7-28-14(18)20-10)21-27-16(4,5)13(23)24/h7,9H,6,8H2,1-5H3,(H2,18,20)(H,19,22)(H,23,24)/b21-11-/t9-/m0/s1 | Definition date: | 2010-04-20 | Last modified: | 2020-02-13 | Identifier: | 2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{S})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid |
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![NXL NXL](https://data.pdbj.org/pdbjplus/data/cc/svg/NXL.svg) | NXL | Name: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide | Formula: | C7 H13 N3 O6 S | SMILES: | O=CN1C(C(N)=O)CCC(C1)NOS(=O)(O)=O | InChi: | InChI=1S/C7H13N3O6S/c8-7(12)6-2-1-5(3-10(6)4-11)9-16-17(13,14)15/h4-6,9H,1-3H2,(H2,8,12)(H,13,14,15)/t5-,6+/m1/s1 | Synonyms: | avibactam, bound form | Definition date: | 2012-01-25 | Last modified: | 2020-02-12 | Identifier: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide |
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![1FJ 1FJ](https://data.pdbj.org/pdbjplus/data/cc/svg/1FJ.svg) | 1FJ | Name: | ~{N}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide | Formula: | C17 H13 N3 O2 S3 | SMILES: | Cc1cccc(NC(=O)C2=C3NC(=O)c4sccc4N3C(=S)S2)c1C | InChi: | InChI=1S/C17H13N3O2S3/c1-8-4-3-5-10(9(8)2)18-16(22)13-14-19-15(21)12-11(6-7-24-12)20(14)17(23)25-13/h3-7H,1-2H3,(H,18,22)(H,19,21) | Definition date: | 2013-01-16 | Last modified: | 2020-02-12 | Release date: | 2013-09-11 | Identifier: | ~{N}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide |
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![0F2 0F2](https://data.pdbj.org/pdbjplus/data/cc/svg/0F2.svg) | 0F2 | Name: | 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol | Formula: | C24 H30 N4 O3 S | SMILES: | CCC(O)(CC)c1cc2[nH]c(cc2c(OCCN3CCOCC3)c1)c4n[nH]c5ccsc45 | InChi: | InChI=1S/C24H30N4O3S/c1-3-24(29,4-2)16-13-19-17(21(14-16)31-11-8-28-6-9-30-10-7-28)15-20(25-19)22-23-18(26-27-22)5-12-32-23/h5,12-15,25,29H,3-4,6-11H2,1-2H3,(H,26,27) | Definition date: | 2011-12-30 | Last modified: | 2020-02-12 | Identifier: | 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol |
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![0F5 0F5](https://data.pdbj.org/pdbjplus/data/cc/svg/0F5.svg) | 0F5 | Name: | (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione | Formula: | C20 H21 N5 O2 S | SMILES: | N[CH]1CC[CH](CC1)Nc2cncc(n2)c3cccc(C=C4SC(=O)NC4=O)c3 | InChi: | InChI=1S/C20H21N5O2S/c21-14-4-6-15(7-5-14)23-18-11-22-10-16(24-18)13-3-1-2-12(8-13)9-17-19(26)25-20(27)28-17/h1-3,8-11,14-15H,4-7,21H2,(H,23,24)(H,25,26,27)/b17-9-/t14-,15- | Definition date: | 2012-01-04 | Last modified: | 2020-02-12 | Identifier: | (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione |
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![2PK 2PK](https://data.pdbj.org/pdbjplus/data/cc/svg/2PK.svg) | 2PK | Name: | (5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one | Formula: | C10 H8 N2 O2 S | SMILES: | Oc1ccc(cc1)C=C2SC(=N)NC2=O | InChi: | InChI=1S/C10H8N2O2S/c11-10-12-9(14)8(15-10)5-6-1-3-7(13)4-2-6/h1-5,13H,(H2,11,12,14)/b8-5+ | Definition date: | 2013-12-24 | Last modified: | 2020-02-12 | Release date: | 2014-01-08 | Identifier: | (5~{E})-2-azanylidene-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one |
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![2PV 2PV](https://data.pdbj.org/pdbjplus/data/cc/svg/2PV.svg) | 2PV | Name: | (5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one | Formula: | C10 H9 N3 O S | SMILES: | Nc1ccc(cc1)C=C2SC(=N)NC2=O | InChi: | InChI=1S/C10H9N3OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-5H,11H2,(H2,12,13,14)/b8-5+ | Definition date: | 2013-12-24 | Last modified: | 2020-02-12 | Release date: | 2014-01-08 | Identifier: | (5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one |
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![2PW 2PW](https://data.pdbj.org/pdbjplus/data/cc/svg/2PW.svg) | 2PW | Name: | (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | Formula: | C14 H15 N O2 S2 | SMILES: | CC[CH](C)N1C(=S)SC(=Cc2ccc(O)cc2)C1=O | InChi: | InChI=1S/C14H15NO2S2/c1-3-9(2)15-13(17)12(19-14(15)18)8-10-4-6-11(16)7-5-10/h4-9,16H,3H2,1-2H3/b12-8+/t9-/m1/s1 | Definition date: | 2013-12-24 | Last modified: | 2020-02-12 | Release date: | 2014-01-08 | Identifier: | (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
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![2Q0 2Q0](https://data.pdbj.org/pdbjplus/data/cc/svg/2Q0.svg) | 2Q0 | Name: | (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one | Formula: | C14 H15 N O2 S2 | SMILES: | CC(C)CN1C(=S)SC(=Cc2ccc(O)cc2)C1=O | InChi: | InChI=1S/C14H15NO2S2/c1-9(2)8-15-13(17)12(19-14(15)18)7-10-3-5-11(16)6-4-10/h3-7,9,16H,8H2,1-2H3/b12-7- | Definition date: | 2013-12-29 | Last modified: | 2020-02-12 | Release date: | 2014-01-15 | Identifier: | (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
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![2RY 2RY](https://data.pdbj.org/pdbjplus/data/cc/svg/2RY.svg) | 2RY | Name: | 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone | Formula: | C22 H21 F3 N4 O S | SMILES: | FC(F)(F)c1ccccc1CC(=O)N2CCN(CC2)c3ncnc4sc5CCCc5c34 | InChi: | InChI=1S/C22H21F3N4OS/c23-22(24,25)16-6-2-1-4-14(16)12-18(30)28-8-10-29(11-9-28)20-19-15-5-3-7-17(15)31-21(19)27-13-26-20/h1-2,4,6,13H,3,5,7-12H2 | Definition date: | 2014-01-15 | Last modified: | 2020-02-12 | Release date: | 2014-07-02 | Identifier: | 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone |
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![WI5 WI5](https://data.pdbj.org/pdbjplus/data/cc/svg/WI5.svg) | WI5 | Name: | {(3R)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone | Formula: | C27 H26 N2 O3 | SMILES: | c2ccc1cccc(c1c2)C(=O)c3c(C)n5C(COc4cccc3c45)CN6CCOCC6 | InChi: | InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | Definition date: | 2019-07-15 | Last modified: | 2020-02-07 | Release date: | 2020-02-12 | Identifier: | {(3R)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone |
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![L4M L4M](https://data.pdbj.org/pdbjplus/data/cc/svg/L4M.svg) | L4M | Name: | 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid | Formula: | C15 H18 O4 | SMILES: | C1(CCCC1CC(O)=O)Cc2ccc(cc2)C(O)=O | InChi: | InChI=1S/C15H18O4/c16-14(17)9-13-3-1-2-12(13)8-10-4-6-11(7-5-10)15(18)19/h4-7,12-13H,1-3,8-9H2,(H,16,17)(H,18,19)/t12-,13-/m0/s1 | Definition date: | 2019-02-06 | Last modified: | 2020-02-07 | Release date: | 2020-02-12 | Identifier: | 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid |
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![L4S L4S](https://data.pdbj.org/pdbjplus/data/cc/svg/L4S.svg) | L4S | Name: | 2',5'-dideoxy-5'-[4-({[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1H-1,2,3-triazol-1-yl]cytidine | Formula: | C25 H29 N7 O6 | SMILES: | C(=O)(Nc3nnn(CC2C(CC(N1C=CC(N)=NC1=O)O2)O)c3)CC5CCCC5C(c4ccccc4O)=O | InChi: | InChI=1S/C25H29N7O6/c26-20-8-9-32(25(37)27-20)23-11-18(34)19(38-23)12-31-13-21(29-30-31)28-22(35)10-14-4-3-6-15(14)24(36)16-5-1-2-7-17(16)33/h1-2,5,7-9,13-15,18-19,23,33-34H,3-4,6,10-12H2,(H,28,35)(H2,26,27,37)/t14-,15+,18-,19+,23+/m0/s1 | Definition date: | 2019-02-06 | Last modified: | 2020-02-07 | Release date: | 2020-02-12 | Identifier: | 2',5'-dideoxy-5'-[4-({[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1H-1,2,3-triazol-1-yl]cytidine |
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