![5BG 5BG](https://data.pdbj.org/pdbjplus/data/cc/svg/5BG.svg) | 5BG | Name: | {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid | Formula: | C42 H54 N2 O10 | SMILES: | COc1c(OC)c(OC)cc(c1)C(C2CCCCC2)C(N3CCCCC3C(=O)NC(CCc4ccc(OC)c(c4)OC)c5cccc(c5)OCC(=O)O)=O | InChi: | InChI=1S/C42H54N2O10/c1-49-34-20-18-27(22-35(34)50-2)17-19-32(29-14-11-15-31(23-29)54-26-38(45)46)43-41(47)33-16-9-10-21-44(33)42(48)39(28-12-7-6-8-13-28)30-24-36(51-3)40(53-5)37(25-30)52-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,43,47)(H,45,46)/t32-,33+,39+/m1/s1 | Definition date: | 2015-09-02 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid |
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![5BH 5BH](https://data.pdbj.org/pdbjplus/data/cc/svg/5BH.svg) | 5BH | Name: | (2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide | Formula: | C29 H43 N3 O6 | SMILES: | C1CCCC1(C(=O)N)NC(=O)C2CCCCN2C(=O)C(c3cc(c(c(c3)OC)OC)OC)C4CCCCC4 | InChi: | InChI=1S/C29H43N3O6/c1-36-22-17-20(18-23(37-2)25(22)38-3)24(19-11-5-4-6-12-19)27(34)32-16-10-7-13-21(32)26(33)31-29(28(30)35)14-8-9-15-29/h17-19,21,24H,4-16H2,1-3H3,(H2,30,35)(H,31,33)/t21-,24-/m0/s1 | Definition date: | 2015-09-02 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | (2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide |
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![A1B A1B](https://data.pdbj.org/pdbjplus/data/cc/svg/A1B.svg) | A1B | Name: | 1-deoxy-alpha-L-xylulofuranose-1,2-borate | Formula: | C5 H10 B O6 | SMILES: | C21O[B-](OC1(OCC2O)C)(O)O | InChi: | InChI=1S/C5H10BO6/c1-5-4(3(7)2-10-5)11-6(8,9)12-5/h3-4,7-9H,2H2,1H3/q-1/t3-,4+,5+/m0/s1 | Definition date: | 2015-03-14 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | [1-deoxy-beta-L-xylulofuranosato(2-)-kappa~2~O~2~,O~3~](dihydroxy)borate(1-) |
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![A2B A2B](https://data.pdbj.org/pdbjplus/data/cc/svg/A2B.svg) | A2B | Name: | L-xylulofuranose-1,2-borate | Formula: | C5 H10 B O7 | SMILES: | OCC21C(O[B-](O1)(O)O)C(O)CO2 | InChi: | InChI=1S/C5H10BO7/c7-2-5-4(3(8)1-11-5)12-6(9,10)13-5/h3-4,7-10H,1-2H2/q-1/t3-,4+,5+/m0/s1 | Definition date: | 2015-03-16 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | dihydroxy[beta-L-xylulofuranosato(2-)-kappa~2~O~2~,O~3~]borate(1-) |
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![ONX ONX](https://data.pdbj.org/pdbjplus/data/cc/svg/ONX.svg) | ONX | Name: | N-[(2R,3S)-3-oxidanylicos-4-en-2-yl]icosanamide | Formula: | C40 H79 N O2 | SMILES: | CCCCCCCCCCCCCCCCCCCC(=O)N[CH](C)[CH](O)C=CCCCCCCCCCCCCCCC | InChi: | InChI=1S/C40H79NO2/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-37-40(43)41-38(3)39(42)36-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h34,36,38-39,42H,4-33,35,37H2,1-3H3,(H,41,43)/b36-34+/t38-,39+/m1/s1 | Definition date: | 2015-09-30 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | N-[(2R,3S)-3-oxidanylicos-4-en-2-yl]icosanamide |
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![P6B P6B](https://data.pdbj.org/pdbjplus/data/cc/svg/P6B.svg) | P6B | Name: | (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol | Formula: | C13 H15 N3 O2 | SMILES: | C3CN(Cc1onc(n1)c2ccccc2)CC3O | InChi: | InChI=1S/C13H15N3O2/c17-11-6-7-16(8-11)9-12-14-13(15-18-12)10-4-2-1-3-5-10/h1-5,11,17H,6-9H2/t11-/m0/s1 | Definition date: | 2016-03-15 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol |
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![51F 51F](https://data.pdbj.org/pdbjplus/data/cc/svg/51F.svg) | 51F | Name: | 2-(2-methyl-1H-imidazol-1-yl)ethanol | Formula: | C6 H10 N2 O | SMILES: | OCCn1c(ncc1)C | InChi: | InChI=1S/C6H10N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,9H,4-5H2,1H3 | Definition date: | 2015-07-09 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | 2-(2-methyl-1H-imidazol-1-yl)ethanol |
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![5YQ 5YQ](https://data.pdbj.org/pdbjplus/data/cc/svg/5YQ.svg) | 5YQ | Name: | 2-{2-[(pyridin-3-ylmethyl)amino]pyrimidin-4-yl}pyridine-4-carboxylic acid | Formula: | C16 H13 N5 O2 | SMILES: | OC(=O)c1ccnc(c1)c2ccnc(NCc3cccnc3)n2 | InChi: | InChI=1S/C16H13N5O2/c22-15(23)12-3-6-18-14(8-12)13-4-7-19-16(21-13)20-10-11-2-1-5-17-9-11/h1-9H,10H2,(H,22,23)(H,19,20,21) | Definition date: | 2015-09-08 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | 2-[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carboxylic acid |
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![67W 67W](https://data.pdbj.org/pdbjplus/data/cc/svg/67W.svg) | 67W | Name: | (2-{[4-(1H-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid | Formula: | C18 H15 N3 O3 | SMILES: | n3ccc(c1ccc(cc1)NC(c2ccccc2CC(O)=O)=O)n3 | InChi: | InChI=1S/C18H15N3O3/c22-17(23)11-13-3-1-2-4-15(13)18(24)20-14-7-5-12(6-8-14)16-9-10-19-21-16/h1-10H,11H2,(H,19,21)(H,20,24)(H,22,23) | Definition date: | 2016-02-16 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | (2-{[4-(1H-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid |
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![67X 67X](https://data.pdbj.org/pdbjplus/data/cc/svg/67X.svg) | 67X | Name: | (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide | Formula: | C10 H14 N2 O2 S | SMILES: | c12NCC(Cc1cccc2S(=O)(N)=O)C | InChi: | InChI=1S/C10H14N2O2S/c1-7-5-8-3-2-4-9(15(11,13)14)10(8)12-6-7/h2-4,7,12H,5-6H2,1H3,(H2,11,13,14)/t7-/m1/s1 | Definition date: | 2016-02-16 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide |
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![67Y 67Y](https://data.pdbj.org/pdbjplus/data/cc/svg/67Y.svg) | 67Y | Name: | 2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide | Formula: | C12 H15 N O2 | SMILES: | C2(c1c(cccc1)CCC2)NC(CO)=O | InChi: | InChI=1S/C12H15NO2/c14-8-12(15)13-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11,14H,3,5,7-8H2,(H,13,15)/t11-/m1/s1 | Definition date: | 2016-02-16 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | 2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide |
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![68A 68A](https://data.pdbj.org/pdbjplus/data/cc/svg/68A.svg) | 68A | Name: | 3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid | Formula: | C9 H8 N2 O3 S | SMILES: | c21N=CN(C(c1c(C)c(C(O)=O)s2)=O)C | InChi: | InChI=1S/C9H8N2O3S/c1-4-5-7(15-6(4)9(13)14)10-3-11(2)8(5)12/h3H,1-2H3,(H,13,14) | Definition date: | 2016-02-16 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | 3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid |
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![68B 68B](https://data.pdbj.org/pdbjplus/data/cc/svg/68B.svg) | 68B | Name: | N-(pyrimidin-5-yl)benzamide | Formula: | C11 H9 N3 O | SMILES: | N(c1cncnc1)C(c2ccccc2)=O | InChi: | InChI=1S/C11H9N3O/c15-11(9-4-2-1-3-5-9)14-10-6-12-8-13-7-10/h1-8H,(H,14,15) | Definition date: | 2016-02-16 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | N-(pyrimidin-5-yl)benzamide |
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![68C 68C](https://data.pdbj.org/pdbjplus/data/cc/svg/68C.svg) | 68C | Name: | 5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide | Formula: | C10 H7 N5 O2 S2 | SMILES: | c31N=CNC(c1c(C)c(C(=O)Nc2scnn2)s3)=O | InChi: | InChI=1S/C10H7N5O2S2/c1-4-5-7(16)11-2-12-9(5)19-6(4)8(17)14-10-15-13-3-18-10/h2-3H,1H3,(H,11,12,16)(H,14,15,17) | Definition date: | 2016-02-16 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | 5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
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![68D 68D](https://data.pdbj.org/pdbjplus/data/cc/svg/68D.svg) | 68D | Name: | {2-[(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl}acetic acid | Formula: | C16 H13 N3 O4 S | SMILES: | c21sc(c(C)c1C(NC=N2)=O)C(Nc3ccccc3CC(O)=O)=O | InChi: | InChI=1S/C16H13N3O4S/c1-8-12-14(22)17-7-18-16(12)24-13(8)15(23)19-10-5-3-2-4-9(10)6-11(20)21/h2-5,7H,6H2,1H3,(H,19,23)(H,20,21)(H,17,18,22) | Definition date: | 2016-02-16 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | {2-[(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl}acetic acid |
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![PUD PUD](https://data.pdbj.org/pdbjplus/data/cc/svg/PUD.svg) | PUD | Name: | 6-deoxy-L-psicose | Formula: | C6 H12 O5 | SMILES: | C(O)(C(C)O)C(C(CO)=O)O | InChi: | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5-,6+/m0/s1 | Definition date: | 2015-03-30 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | 6-deoxy-L-psicose |
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![T20 T20](https://data.pdbj.org/pdbjplus/data/cc/svg/T20.svg) | T20 | Name: | 3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide | Formula: | C26 H25 N5 O3 | SMILES: | O=N(=O)c1cccc(c1)C(=O)Nc3nc4cc(ccc4n3c2ccccc2)CN5CCCCC5 | InChi: | InChI=1S/C26H25N5O3/c32-25(20-8-7-11-22(17-20)31(33)34)28-26-27-23-16-19(18-29-14-5-2-6-15-29)12-13-24(23)30(26)21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,27,28,32) | Definition date: | 2014-10-24 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | 3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide |
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![TGD TGD](https://data.pdbj.org/pdbjplus/data/cc/svg/TGD.svg) | TGD | Name: | 1-deoxy-D-tagatose | Formula: | C6 H12 O5 | SMILES: | CC(=O)C(O)C(O)C(CO)O | InChi: | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h4-7,9-11H,2H2,1H3/t4-,5-,6+/m1/s1 | Definition date: | 2015-03-26 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | 1-deoxy-D-tagatose |
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![TGJ TGJ](https://data.pdbj.org/pdbjplus/data/cc/svg/TGJ.svg) | TGJ | Name: | 1-deoxy-L-tagatose | Formula: | C6 H12 O5 | SMILES: | CC(C(C(O)C(CO)O)O)=O | InChi: | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h4-7,9-11H,2H2,1H3/t4-,5-,6+/m0/s1 | Definition date: | 2015-03-27 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | 1-deoxy-L-tagatose |
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![5JW 5JW](https://data.pdbj.org/pdbjplus/data/cc/svg/5JW.svg) | 5JW | Name: | {[(2,7-dichloro-9H-fluoren-9-ylidene)amino]oxy}acetic acid | Formula: | C15 H9 Cl2 N O3 | SMILES: | Clc2ccc3c1ccc(cc1C(c3c2)=N/OCC(O)=O)Cl | InChi: | InChI=1S/C15H9Cl2NO3/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(12(10)5-8)18-21-7-14(19)20/h1-6H,7H2,(H,19,20) | Definition date: | 2015-10-06 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | {[(2,7-dichloro-9H-fluoren-9-ylidene)amino]oxy}acetic acid |
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![5TQ 5TQ](https://data.pdbj.org/pdbjplus/data/cc/svg/5TQ.svg) | 5TQ | Name: | 4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid | Formula: | C16 H17 F N2 O3 | SMILES: | OC(=O)CCCN1CCC2=C(C1)c3ccc(F)cc3C(=O)N2 | InChi: | InChI=1S/C16H17FN2O3/c17-10-3-4-11-12(8-10)16(22)18-14-5-7-19(9-13(11)14)6-1-2-15(20)21/h3-4,8H,1-2,5-7,9H2,(H,18,22)(H,20,21) | Definition date: | 2015-11-30 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | 4-(8-fluoranyl-6-oxidanylidene-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-2-yl)butanoic acid |
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![5WH 5WH](https://data.pdbj.org/pdbjplus/data/cc/svg/5WH.svg) | 5WH | Name: | 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide | Formula: | C29 H27 F4 N7 O2 | SMILES: | C[CH]1CC[CH](CN1C(=O)C2CC2)c3nc(c4ccc(cc4F)C(=O)Nc5cc(ccn5)C(F)(F)F)c6n3ccnc6N | InChi: | InChI=1S/C29H27F4N7O2/c1-15-2-3-18(14-40(15)28(42)16-4-5-16)26-38-23(24-25(34)36-10-11-39(24)26)20-7-6-17(12-21(20)30)27(41)37-22-13-19(8-9-35-22)29(31,32)33/h6-13,15-16,18H,2-5,14H2,1H3,(H2,34,36)(H,35,37,41)/t15-,18+/m0/s1 | Definition date: | 2015-12-15 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide |
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![4C4 4C4](https://data.pdbj.org/pdbjplus/data/cc/svg/4C4.svg) | 4C4 | Name: | Myxopyronin B | Formula: | C24 H33 N O6 | SMILES: | C=1(C(OC(=CC=1O)C(C)CC[C@H]=[C@H]NC(=O)OC)=O)C(=O)C(C)=[C@H]C=C(/C)CCCC | InChi: | InChI=1S/C24H33NO6/c1-6-7-10-16(2)12-13-18(4)22(27)21-19(26)15-20(31-23(21)28)17(3)11-8-9-14-25-24(29)30-5/h9,12-15,17,26H,6-8,10-11H2,1-5H3,(H,25,29)/b14-9+,16-12+,18-13+/t17-/m1/s1 | Definition date: | 2015-02-26 | Last modified: | 2016-03-18 | Release date: | 2015-03-11 | Identifier: | methyl [(1E,5R)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}hex-1-en-1-yl]carbamate |
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![4G7 4G7](https://data.pdbj.org/pdbjplus/data/cc/svg/4G7.svg) | 4G7 | Name: | 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid | Formula: | C17 H14 F N O6 | SMILES: | C(NC(c1c(OCC(O)=O)cc(cc1)F)=O)c2cc(C(O)=O)ccc2 | InChi: | InChI=1S/C17H14FNO6/c18-12-4-5-13(14(7-12)25-9-15(20)21)16(22)19-8-10-2-1-3-11(6-10)17(23)24/h1-7H,8-9H2,(H,19,22)(H,20,21)(H,23,24) | Definition date: | 2015-03-17 | Last modified: | 2016-03-18 | Release date: | 2016-03-23 | Identifier: | 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid |
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![42O 42O](https://data.pdbj.org/pdbjplus/data/cc/svg/42O.svg) | 42O | Name: | (3~{R})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid | Formula: | C22 H19 N O3 S | SMILES: | OC(=O)[CH]1CSC2=C(C3CC3)C(=CC(=O)N12)Cc4cccc5ccccc45 | InChi: | InChI=1S/C22H19NO3S/c24-19-11-16(10-15-6-3-5-13-4-1-2-7-17(13)15)20(14-8-9-14)21-23(19)18(12-27-21)22(25)26/h1-7,11,14,18H,8-10,12H2,(H,25,26)/t18-/m0/s1 | Definition date: | 2015-01-22 | Last modified: | 2016-03-11 | Release date: | 2016-03-16 | Identifier: | (3~{R})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid |
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