![5LG 5LG](https://data.pdbj.org/pdbjplus/data/cc/svg/5LG.svg) | 5LG | Name: | (phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | Formula: | C26 H37 N7 O6 | SMILES: | CC(C)C[CH]1NC(=O)[CH](Cc2cn(CCNC(=O)CC[CH](CO)NC1=O)nn2)NC(=O)OCc3ccccc3 | InChi: | InChI=1S/C26H37N7O6/c1-17(2)12-21-24(36)28-19(15-34)8-9-23(35)27-10-11-33-14-20(31-32-33)13-22(25(37)29-21)30-26(38)39-16-18-6-4-3-5-7-18/h3-7,14,17,19,21-22,34H,8-13,15-16H2,1-2H3,(H,27,35)(H,28,36)(H,29,37)(H,30,38)/t19-,21-,22-/m0/s1 | Definition date: | 2015-10-20 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | (phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate |
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![5LH 5LH](https://data.pdbj.org/pdbjplus/data/cc/svg/5LH.svg) | 5LH | Name: | (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate | Formula: | C27 H39 N7 O6 | SMILES: | CC(C)C[CH]1NC(=O)[CH](Cc2cn(CCCNC(=O)CC[CH](CO)NC1=O)nn2)NC(=O)OCc3ccccc3 | InChi: | InChI=1S/C27H39N7O6/c1-18(2)13-22-25(37)29-20(16-35)9-10-24(36)28-11-6-12-34-15-21(32-33-34)14-23(26(38)30-22)31-27(39)40-17-19-7-4-3-5-8-19/h3-5,7-8,15,18,20,22-23,35H,6,9-14,16-17H2,1-2H3,(H,28,36)(H,29,37)(H,30,38)(H,31,39)/t20-,22-,23-/m0/s1 | Definition date: | 2015-10-20 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate |
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![5LJ 5LJ](https://data.pdbj.org/pdbjplus/data/cc/svg/5LJ.svg) | 5LJ | Name: | (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate | Formula: | C33 H49 N7 O6 | SMILES: | OC[CH]1CCC(=O)NCCCCCCn2cc(C[CH](NC(=O)OCc3ccccc3)C(=O)N[CH](CC4CCCCC4)C(=O)N1)nn2 | InChi: | InChI=1S/C33H49N7O6/c41-22-26-15-16-30(42)34-17-9-1-2-10-18-40-21-27(38-39-40)20-29(37-33(45)46-23-25-13-7-4-8-14-25)32(44)36-28(31(43)35-26)19-24-11-5-3-6-12-24/h4,7-8,13-14,21,24,26,28-29,41H,1-3,5-6,9-12,15-20,22-23H2,(H,34,42)(H,35,43)(H,36,44)(H,37,45)/t26-,28-,29-/m0/s1 | Definition date: | 2015-10-19 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate |
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![5OR 5OR](https://data.pdbj.org/pdbjplus/data/cc/svg/5OR.svg) | 5OR | Name: | 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol | Formula: | C13 H9 I N2 O2 | SMILES: | Oc1ccc(cc1)c2nc3ccc(O)cn3c2I | InChi: | InChI=1S/C13H9IN2O2/c14-13-12(8-1-3-9(17)4-2-8)15-11-6-5-10(18)7-16(11)13/h1-7,17-18H | Definition date: | 2015-10-30 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol |
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![5OS 5OS](https://data.pdbj.org/pdbjplus/data/cc/svg/5OS.svg) | 5OS | Name: | 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol | Formula: | C16 H10 Cl2 O3 | SMILES: | Oc1ccc(c(Cl)c1)c2cocc2c3ccc(O)cc3Cl | InChi: | InChI=1S/C16H10Cl2O3/c17-15-5-9(19)1-3-11(15)13-7-21-8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H | Definition date: | 2015-10-30 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol |
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![5P1 5P1](https://data.pdbj.org/pdbjplus/data/cc/svg/5P1.svg) | 5P1 | Name: | 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol | Formula: | C14 H9 F3 N2 O2 | SMILES: | Oc1ccc(cc1)c2nc3ccc(O)cn3c2C(F)(F)F | InChi: | InChI=1S/C14H9F3N2O2/c15-14(16,17)13-12(8-1-3-9(20)4-2-8)18-11-6-5-10(21)7-19(11)13/h1-7,20-21H | Definition date: | 2015-11-03 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol |
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![5QO 5QO](https://data.pdbj.org/pdbjplus/data/cc/svg/5QO.svg) | 5QO | Name: | macrocyclic quinoxaline-pyrrolodihydropiperidinone | Formula: | C21 H21 N5 O | SMILES: | C[CH]1Nc2nc3c(cccc3c4[nH]c5[CH](CNC(=O)c5c4)CC=C1)nc2C | InChi: | InChI=1S/C21H21N5O/c1-11-5-3-6-13-10-22-21(27)15-9-17(25-18(13)15)14-7-4-8-16-19(14)26-20(23-11)12(2)24-16/h3-5,7-9,11,13,25H,6,10H2,1-2H3,(H,22,27)(H,23,26)/b5-3-/t11-,13+/m1/s1 | Definition date: | 2015-11-10 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 |
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![5RU 5RU](https://data.pdbj.org/pdbjplus/data/cc/svg/5RU.svg) | 5RU | Name: | 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one | Formula: | C12 H10 F N5 O S | SMILES: | NC1=Nc2[nH]c(SCc3ccccc3F)nc2C(=O)N1 | InChi: | InChI=1S/C12H10FN5OS/c13-7-4-2-1-3-6(7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19) | Definition date: | 2015-11-18 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one |
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![5RV 5RV](https://data.pdbj.org/pdbjplus/data/cc/svg/5RV.svg) | 5RV | Name: | 2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile | Formula: | C13 H10 N6 O S | SMILES: | NC1=NC(=O)c2nc([nH]c2N1)SCc3ccccc3C#N | InChi: | InChI=1S/C13H10N6OS/c14-5-7-3-1-2-4-8(7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20) | Definition date: | 2015-11-18 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | 2-[(2-azanyl-6-oxidanylidene-3,9-dihydropurin-8-yl)sulfanylmethyl]benzenecarbonitrile |
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![5RW 5RW](https://data.pdbj.org/pdbjplus/data/cc/svg/5RW.svg) | 5RW | Name: | 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one | Formula: | C12 H10 F N5 O S | SMILES: | NC1=Nc2nc([nH]c2C(=O)N1)SCc3ccc(F)cc3 | InChi: | InChI=1S/C12H10FN5OS/c13-7-3-1-6(2-4-7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19) | Definition date: | 2015-11-18 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | 2-azanyl-8-[(4-fluorophenyl)methylsulfanyl]-1,7-dihydropurin-6-one |
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![5RX 5RX](https://data.pdbj.org/pdbjplus/data/cc/svg/5RX.svg) | 5RX | Name: | 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one | Formula: | C12 H10 Cl N5 O S | SMILES: | NC1=Nc2[nH]c(SCc3ccc(Cl)cc3)nc2C(=O)N1 | InChi: | InChI=1S/C12H10ClN5OS/c13-7-3-1-6(2-4-7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4H,5H2,(H4,14,15,16,17,18,19) | Definition date: | 2015-11-18 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one |
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![5RY 5RY](https://data.pdbj.org/pdbjplus/data/cc/svg/5RY.svg) | 5RY | Name: | 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile | Formula: | C13 H9 F N6 O S | SMILES: | NC1=Nc2[nH]c(SCc3ccc(cc3F)C#N)nc2C(=O)N1 | InChi: | InChI=1S/C13H9FN6OS/c14-8-3-6(4-15)1-2-7(8)5-22-13-17-9-10(19-13)18-12(16)20-11(9)21/h1-3H,5H2,(H4,16,17,18,19,20,21) | Definition date: | 2015-11-18 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile |
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![5RZ 5RZ](https://data.pdbj.org/pdbjplus/data/cc/svg/5RZ.svg) | 5RZ | Name: | 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one | Formula: | C13 H10 Br N5 O2 S | SMILES: | NC1=Nc2[nH]c(SCC(=O)c3ccc(Br)cc3)nc2C(=O)N1 | InChi: | InChI=1S/C13H10BrN5O2S/c14-7-3-1-6(2-4-7)8(20)5-22-13-16-9-10(18-13)17-12(15)19-11(9)21/h1-4H,5H2,(H4,15,16,17,18,19,21) | Definition date: | 2015-11-18 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one |
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![5SO 5SO](https://data.pdbj.org/pdbjplus/data/cc/svg/5SO.svg) | 5SO | Name: | Fusicoccin A-THF derivative | Formula: | C30 H48 O8 | SMILES: | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH]4COC(C)(C)O[CH]4[CH](O)[CH]3O)C5=C(CC[C]5(C)C=C12)C(C)C | InChi: | InChI=1S/C30H48O8/c1-15(2)18-10-11-30(6)12-20-17(13-34-7)8-9-19(20)16(3)23(31)27(22(18)30)37-28-25(33)24(32)26-21(36-28)14-35-29(4,5)38-26/h12,15-17,19,21,23-28,31-33H,8-11,13-14H2,1-7H3/b20-12-/t16-,17-,19+,21-,23-,24-,25-,26-,27-,28+,30-/m1/s1 | Definition date: | 2015-11-24 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 |
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![5U7 5U7](https://data.pdbj.org/pdbjplus/data/cc/svg/5U7.svg) | 5U7 | Name: | 5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide | Formula: | C23 H28 N2 O8 | SMILES: | CNC(=O)c1cc(cc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c(C)c2)C(=O)NC | InChi: | InChI=1S/C23H28N2O8/c1-11-6-12(13-7-14(21(30)24-2)9-15(8-13)22(31)25-3)4-5-16(11)32-23-20(29)19(28)18(27)17(10-26)33-23/h4-9,17-20,23,26-29H,10H2,1-3H3,(H,24,30)(H,25,31)/t17-,18-,19+,20+,23+/m1/s1 | Definition date: | 2015-12-02 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | 5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide |
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![4L1 4L1](https://data.pdbj.org/pdbjplus/data/cc/svg/4L1.svg) | 4L1 | Name: | 5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1H,1'H-2,5'-bibenzimidazole | Formula: | C24 H23 N7 | SMILES: | C1N(CCN(C1)C)c2ccc3nc(nc3c2)c4cc5c(cc4)nc(n5)c6ncccc6 | InChi: | InChI=1S/C24H23N7/c1-30-10-12-31(13-11-30)17-6-8-19-22(15-17)28-23(26-19)16-5-7-18-21(14-16)29-24(27-18)20-4-2-3-9-25-20/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29) | Definition date: | 2015-04-02 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | 5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1H,1'H-2,5'-bibenzimidazole |
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![4LB 4LB](https://data.pdbj.org/pdbjplus/data/cc/svg/4LB.svg) | 4LB | Name: | trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid | Formula: | C16 H20 Cl N O4 | SMILES: | c2ccc(c(COC(=O)NCC1CCC(CC1)C(O)=O)c2)Cl | InChi: | InChI=1S/C16H20ClNO4/c17-14-4-2-1-3-13(14)10-22-16(21)18-9-11-5-7-12(8-6-11)15(19)20/h1-4,11-12H,5-10H2,(H,18,21)(H,19,20)/t11-,12- | Definition date: | 2015-04-09 | Last modified: | 2016-04-29 | Release date: | 2016-05-04 | Identifier: | trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid |
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![4QT 4QT](https://data.pdbj.org/pdbjplus/data/cc/svg/4QT.svg) | 4QT | Name: | 5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide | Formula: | C6 H4 Br3 N O4 | SMILES: | c1(c(c(c(c(c1Br)OO)Br)OO)Br)N | InChi: | InChI=1S/C6H4Br3NO4/c7-1-4(10)2(8)6(14-12)3(9)5(1)13-11/h11-12H,10H2 | Definition date: | 2015-05-13 | Last modified: | 2016-04-22 | Release date: | 2016-04-27 | Identifier: | 5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide |
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![4TE 4TE](https://data.pdbj.org/pdbjplus/data/cc/svg/4TE.svg) | 4TE | Name: | (1S,2R,3S,4R,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid | Formula: | C9 H12 O5 | SMILES: | C1(C(C2CC(C1O2)C)C(O)=O)C(O)=O | InChi: | InChI=1S/C9H12O5/c1-3-2-4-5(8(10)11)6(9(12)13)7(3)14-4/h3-7H,2H2,1H3,(H,10,11)(H,12,13)/t3-,4-,5-,6-,7+/m0/s1 | Definition date: | 2015-05-21 | Last modified: | 2016-04-22 | Release date: | 2016-04-27 | Identifier: | (1S,2R,3S,4R,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid |
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![4TF 4TF](https://data.pdbj.org/pdbjplus/data/cc/svg/4TF.svg) | 4TF | Name: | (1R,2S,3R,4S,5S)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid | Formula: | C12 H18 O6 | SMILES: | O=C(C1C(C(=O)O)C2OC1CC2COCCC)O | InChi: | InChI=1S/C12H18O6/c1-2-3-17-5-6-4-7-8(11(13)14)9(12(15)16)10(6)18-7/h6-10H,2-5H2,1H3,(H,13,14)(H,15,16)/t6-,7+,8+,9+,10-/m0/s1 | Definition date: | 2015-05-21 | Last modified: | 2016-04-22 | Release date: | 2016-04-27 | Identifier: | (1R,2S,3R,4S,5S)-5-(propoxymethyl)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid |
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![60P 60P](https://data.pdbj.org/pdbjplus/data/cc/svg/60P.svg) | 60P | Name: | 3-methylthiophene-2-carboxylic acid | Formula: | C6 H6 O2 S | SMILES: | Cc1ccsc1C(O)=O | InChi: | InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8) | Definition date: | 2016-01-12 | Last modified: | 2016-04-22 | Release date: | 2016-04-27 | Identifier: | 3-methylthiophene-2-carboxylic acid |
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![60Q 60Q](https://data.pdbj.org/pdbjplus/data/cc/svg/60Q.svg) | 60Q | Name: | 2-pyrrol-1-ylbenzoic acid | Formula: | C11 H9 N O2 | SMILES: | OC(=O)c1ccccc1n2cccc2 | InChi: | InChI=1S/C11H9NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,(H,13,14) | Definition date: | 2016-01-12 | Last modified: | 2016-04-22 | Release date: | 2016-04-27 | Identifier: | 2-pyrrol-1-ylbenzoic acid |
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![61O 61O](https://data.pdbj.org/pdbjplus/data/cc/svg/61O.svg) | 61O | Name: | 2-(pyridin-3-yl)benzoic acid | Formula: | C12 H9 N O2 | SMILES: | c1(cnccc1)c2ccccc2C(O)=O | InChi: | InChI=1S/C12H9NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,(H,14,15) | Definition date: | 2016-01-13 | Last modified: | 2016-04-22 | Release date: | 2016-04-27 | Identifier: | 2-(pyridin-3-yl)benzoic acid |
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![62M 62M](https://data.pdbj.org/pdbjplus/data/cc/svg/62M.svg) | 62M | Name: | [6-hydroxy-3-(3-methylbenzyl)-1H-indazol-5-yl][(3S)-3-hydroxypyrrolidin-1-yl]methanone | Formula: | C20 H21 N3 O3 | SMILES: | C1(CCN(C1)C(c4cc3c(Cc2cc(ccc2)C)nnc3cc4O)=O)O | InChi: | InChI=1S/C20H21N3O3/c1-12-3-2-4-13(7-12)8-17-15-9-16(19(25)10-18(15)22-21-17)20(26)23-6-5-14(24)11-23/h2-4,7,9-10,14,24-25H,5-6,8,11H2,1H3,(H,21,22)/t14-/m0/s1 | Definition date: | 2016-01-18 | Last modified: | 2016-04-22 | Release date: | 2016-04-27 | Identifier: | [6-hydroxy-3-(3-methylbenzyl)-1H-indazol-5-yl][(3S)-3-hydroxypyrrolidin-1-yl]methanone |
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![64Z 64Z](https://data.pdbj.org/pdbjplus/data/cc/svg/64Z.svg) | 64Z | Name: | Geraniol | Formula: | C10 H18 O | SMILES: | C(=C/CCC(=CCO)C)(C)C | InChi: | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ | Definition date: | 2016-01-26 | Last modified: | 2016-04-22 | Release date: | 2016-04-27 | Identifier: | (2E)-3,7-dimethylocta-2,6-dien-1-ol |
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