![M7L M7L](https://data.pdbj.org/pdbjplus/data/cc/svg/M7L.svg) | M7L | Name: | 3-azanyloxy-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid | Formula: | C11 H16 N3 O8 P | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(CN=C(CON)C(O)=O)c1O | InChi: | InChI=1S/C11H16N3O8P/c1-6-10(15)8(3-14-9(5-21-12)11(16)17)7(2-13-6)4-22-23(18,19)20/h2,15H,3-5,12H2,1H3,(H,16,17)(H2,18,19,20)/b14-9+ | Definition date: | 2022-07-26 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | (2~{E})-3-azanyloxy-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylimino]propanoic acid |
|
![I7D I7D](https://data.pdbj.org/pdbjplus/data/cc/svg/I7D.svg) | I7D | Name: | (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-5-one | Formula: | C42 H60 O3 | SMILES: | COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC | InChi: | InChI=1S/C42H60O3/c1-34(22-15-24-36(3)25-17-27-38(5)29-19-32-41(7,8)44-11)20-13-14-21-35(2)23-16-26-37(4)28-18-30-39(6)40(43)31-33-42(9,10)45-12/h13-30H,31-33H2,1-12H3/b14-13+,22-15+,23-16+,25-17+,28-18+,29-19+,34-20+,35-21+,36-24+,37-26+,38-27+,39-30+ | Synonyms: | R.g.Keto-II | Definition date: | 2022-06-10 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-5-one |
|
![I7I I7I](https://data.pdbj.org/pdbjplus/data/cc/svg/I7I.svg) | I7I | Name: | [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(1~{R})-1-(3-methoxy-4-oxidanyl-phenyl)propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | Formula: | C37 H47 N9 O17 P2 | SMILES: | CC[CH](N1c2cc(C)c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C1C(=O)NC(=O)N6)c7ccc(O)c(OC)c7 | InChi: | InChI=1S/C37H47N9O17P2/c1-5-19(18-6-7-22(47)25(10-18)59-4)46-21-9-17(3)16(2)8-20(21)44(34-28(46)35(53)43-37(54)42-34)11-23(48)29(50)24(49)12-60-64(55,56)63-65(57,58)61-13-26-30(51)31(52)36(62-26)45-15-41-27-32(38)39-14-40-33(27)45/h6-10,14-15,19,23-24,26,29-31,36,47-52H,5,11-13H2,1-4H3,(H,55,56)(H,57,58)(H2,38,39,40)(H2,42,43,53,54)/t19-,23+,24-,26+,29+,30-,31-,36-/m1/s1 | Definition date: | 2022-02-17 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(1~{R})-1-(3-methoxy-4-oxidanyl-phenyl)propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate |
|
![K4O K4O](https://data.pdbj.org/pdbjplus/data/cc/svg/K4O.svg) | K4O | Name: | ~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | Formula: | C13 H12 F N5 | SMILES: | Cc1cc(NCc2ccccc2F)n3ncnc3n1 | InChi: | InChI=1S/C13H12FN5/c1-9-6-12(19-13(18-9)16-8-17-19)15-7-10-4-2-3-5-11(10)14/h2-6,8,15H,7H2,1H3 | Definition date: | 2022-05-19 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | ~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
|
![K4X K4X](https://data.pdbj.org/pdbjplus/data/cc/svg/K4X.svg) | K4X | Name: | 2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid | Formula: | C16 H16 F3 N3 O3 S | SMILES: | C[CH]1CCc2nc(SCC(=O)NCC(O)=O)c(C#N)c(c2C1)C(F)(F)F | InChi: | InChI=1S/C16H16F3N3O3S/c1-8-2-3-11-9(4-8)14(16(17,18)19)10(5-20)15(22-11)26-7-12(23)21-6-13(24)25/h8H,2-4,6-7H2,1H3,(H,21,23)(H,24,25)/t8-/m0/s1 | Definition date: | 2022-05-19 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid |
|
![K5I K5I](https://data.pdbj.org/pdbjplus/data/cc/svg/K5I.svg) | K5I | Name: | 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid | Formula: | C19 H11 F3 N2 O2 S2 | SMILES: | OC(=O)C(Sc1nc(cc(c1C#N)C(F)(F)F)c2sccc2)c3ccccc3 | InChi: | InChI=1S/C19H11F3N2O2S2/c20-19(21,22)13-9-14(15-7-4-8-27-15)24-17(12(13)10-23)28-16(18(25)26)11-5-2-1-3-6-11/h1-9,16H,(H,25,26) | Definition date: | 2022-05-19 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid |
|
![K5U K5U](https://data.pdbj.org/pdbjplus/data/cc/svg/K5U.svg) | K5U | Name: | 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide | Formula: | C16 H13 Cl N4 O S | SMILES: | Clc1ccccc1Nc2scc(n2)C(=O)NCc3ccccn3 | InChi: | InChI=1S/C16H13ClN4OS/c17-12-6-1-2-7-13(12)20-16-21-14(10-23-16)15(22)19-9-11-5-3-4-8-18-11/h1-8,10H,9H2,(H,19,22)(H,20,21) | Definition date: | 2022-05-19 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide |
|
![K69 K69](https://data.pdbj.org/pdbjplus/data/cc/svg/K69.svg) | K69 | Name: | 1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one | Formula: | C17 H20 N6 O2 | SMILES: | CN1C(=O)N(C)c2cc(Nc3cc(ncn3)N4CCOCC4)ccc12 | InChi: | InChI=1S/C17H20N6O2/c1-21-13-4-3-12(9-14(13)22(2)17(21)24)20-15-10-16(19-11-18-15)23-5-7-25-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,20) | Definition date: | 2022-05-19 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one |
|
![K6R K6R](https://data.pdbj.org/pdbjplus/data/cc/svg/K6R.svg) | K6R | Name: | 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile | Formula: | C13 H10 Cl N3 | SMILES: | Clc1nccc(NCc2ccccc2)c1C#N | InChi: | InChI=1S/C13H10ClN3/c14-13-11(8-15)12(6-7-16-13)17-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,16,17) | Definition date: | 2022-05-19 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile |
|
![KA9 KA9](https://data.pdbj.org/pdbjplus/data/cc/svg/KA9.svg) | KA9 | Name: | 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one | Formula: | C20 H19 N5 O S | SMILES: | CN1C(=O)N(C)c2cc(Nc3cc(SCc4ccccc4)ncn3)ccc12 | InChi: | InChI=1S/C20H19N5OS/c1-24-16-9-8-15(10-17(16)25(2)20(24)26)23-18-11-19(22-13-21-18)27-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,22,23) | Definition date: | 2022-05-23 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one |
|
![KCB KCB](https://data.pdbj.org/pdbjplus/data/cc/svg/KCB.svg) | KCB | Name: | (5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine | Formula: | C20 H21 Cl N4 O3 | SMILES: | COc1ccc([CH]2C[CH](Nc3ncnn23)c4ccc(Cl)cc4)c(OC)c1OC | InChi: | InChI=1S/C20H21ClN4O3/c1-26-17-9-8-14(18(27-2)19(17)28-3)16-10-15(12-4-6-13(21)7-5-12)24-20-22-11-23-25(16)20/h4-9,11,15-16H,10H2,1-3H3,(H,22,23,24)/t15-,16+/m0/s1 | Definition date: | 2022-05-23 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | (5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine |
|
![82Z 82Z](https://data.pdbj.org/pdbjplus/data/cc/svg/82Z.svg) | 82Z | Name: | [(5S,6E,8S,9S,12R,13E,15E)-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl] carbamate | Formula: | C27 H35 Cl N2 O7 | SMILES: | CO[CH]1C=CC=C(C)Cc2cc(NC(=O)C[CH](O)C(=C[CH](C)[CH](CC1=O)OC(N)=O)C)c(Cl)c(OC)c2 | InChi: | InChI=1S/C27H35ClN2O7/c1-15-7-6-8-22(35-4)21(32)13-23(37-27(29)34)17(3)10-16(2)20(31)14-25(33)30-19-11-18(9-15)12-24(36-5)26(19)28/h6-8,10-12,17,20,22-23,31H,9,13-14H2,1-5H3,(H2,29,34)(H,30,33)/b8-6?,15-7+,16-10+/t17-,20-,22+,23-/m0/s1 | Definition date: | 2021-11-18 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | [(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl] carbamate |
|
![83Z 83Z](https://data.pdbj.org/pdbjplus/data/cc/svg/83Z.svg) | 83Z | Name: | (5~{S},6~{E},8~{S},9~{S},12~{R},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,15,18(22),19-pentaene-3,11-dione | Formula: | C26 H34 Cl N O6 | SMILES: | CO[CH]1C=CC=C(C)Cc2cc(NC(=O)C[CH](O)C(=C[CH](C)[CH](O)CC1=O)C)c(Cl)c(OC)c2 | InChi: | InChI=1S/C26H34ClNO6/c1-15-7-6-8-23(33-4)22(31)13-20(29)16(2)10-17(3)21(30)14-25(32)28-19-11-18(9-15)12-24(34-5)26(19)27/h6-8,10-12,16,20-21,23,29-30H,9,13-14H2,1-5H3,(H,28,32)/b8-6?,15-7+,17-10+/t16-,20-,21-,23+/m0/s1 | Definition date: | 2021-11-22 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | (5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5,9-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaene-3,11-dione |
|
![84E 84E](https://data.pdbj.org/pdbjplus/data/cc/svg/84E.svg) | 84E | Name: | [(2S,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-2-(trifluoromethylsulfanyl)oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C11 H14 F3 N2 O8 P S | SMILES: | CC1=CN([CH]2C[CH](O)[C](CO[P](O)(O)=O)(O2)SC(F)(F)F)C(=O)NC1=O | InChi: | InChI=1S/C11H14F3N2O8PS/c1-5-3-16(9(19)15-8(5)18)7-2-6(17)10(24-7,26-11(12,13)14)4-23-25(20,21)22/h3,6-7,17H,2,4H2,1H3,(H,15,18,19)(H2,20,21,22)/t6-,7+,10-/m0/s1 | Definition date: | 2021-11-24 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | [(2~{S},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-2-(trifluoromethylsulfanyl)oxolan-2-yl]methyl dihydrogen phosphate |
|
![8CW 8CW](https://data.pdbj.org/pdbjplus/data/cc/svg/8CW.svg) | 8CW | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(~{S})-azanyl-[[(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl]oxy]-oxidanyl-methyl] hydrogen phosphate | Formula: | C37 H49 Cl N7 O14 P | SMILES: | CO[CH]1C=CC=C(C)Cc2cc(NC(=O)C[CH](O)C(=C[CH](C)[CH](CC1=O)O[C](N)(O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C)c(Cl)c(OC)c2 | InChi: | InChI=1S/C37H49ClN7O14P/c1-18-7-6-8-25(54-4)24(47)13-26(20(3)10-19(2)23(46)14-29(48)44-22-11-21(9-18)12-27(55-5)30(22)38)58-37(40,51)59-60(52,53)56-15-28-32(49)33(50)36(57-28)45-17-43-31-34(39)41-16-42-35(31)45/h6-8,10-12,16-17,20,23,25-26,28,32-33,36,46,49-51H,9,13-15,40H2,1-5H3,(H,44,48)(H,52,53)(H2,39,41,42)/b8-6+,18-7+,19-10+/t20-,23-,25+,26-,28+,32+,33+,36+,37-/m0/s1 | Definition date: | 2021-12-06 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(~{S})-azanyl-[[(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl]oxy]-oxidanyl-methyl] hydrogen phosphate |
|
![1YI 1YI](https://data.pdbj.org/pdbjplus/data/cc/svg/1YI.svg) | 1YI | Name: | N-[2-(dimethylamino)ethyl]-2-methyl-2-[4-[4-[[2-methyl-5-[(2S,3R,4R,5S,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]methyl]phenyl]butanoylamino]propanamide | Formula: | C32 H47 N3 O6 S | SMILES: | CS[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2ccc(C)c(Cc3ccc(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)cc3)c2 | InChi: | InChI=1S/C32H47N3O6S/c1-20-10-15-23(29-27(38)26(37)28(39)30(41-29)42-6)19-24(20)18-22-13-11-21(12-14-22)8-7-9-25(36)34-32(2,3)31(40)33-16-17-35(4)5/h10-15,19,26-30,37-39H,7-9,16-18H2,1-6H3,(H,33,40)(H,34,36)/t26-,27-,28+,29+,30-/m1/s1 | Synonyms: | LX2761 | Definition date: | 2022-01-26 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | ~{N}-[2-(dimethylamino)ethyl]-2-methyl-2-[4-[4-[[2-methyl-5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]methyl]phenyl]butanoylamino]propanamide |
|
![QJI QJI](https://data.pdbj.org/pdbjplus/data/cc/svg/QJI.svg) | QJI | Name: | ~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide | Formula: | C19 H19 Cl N4 O | SMILES: | Clc1ccccc1NC(=O)c2cnc3ccc(cn23)C4CCNCC4 | InChi: | InChI=1S/C19H19ClN4O/c20-15-3-1-2-4-16(15)23-19(25)17-11-22-18-6-5-14(12-24(17)18)13-7-9-21-10-8-13/h1-6,11-13,21H,7-10H2,(H,23,25) | Definition date: | 2022-11-08 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | ~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide |
|
![QNR QNR](https://data.pdbj.org/pdbjplus/data/cc/svg/QNR.svg) | QNR | Name: | 3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine | Formula: | C11 H9 N3 | SMILES: | Nc1nc2[nH]ccc2c3ccccc13 | InChi: | InChI=1S/C11H9N3/c12-10-8-4-2-1-3-7(8)9-5-6-13-11(9)14-10/h1-6H,(H3,12,13,14) | Definition date: | 2022-11-09 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine |
|
![GY1 GY1](https://data.pdbj.org/pdbjplus/data/cc/svg/GY1.svg) | GY1 | Name: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid | Formula: | C42 H53 N O11 | SMILES: | COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)cc1OC | InChi: | InChI=1S/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/m0/s1 | Definition date: | 2022-02-04 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
|
![9Y4 9Y4](https://data.pdbj.org/pdbjplus/data/cc/svg/9Y4.svg) | 9Y4 | Name: | N-[(4-methylphenyl)methyl]-N~2~-phenylglycinamide | Formula: | C16 H18 N2 O | SMILES: | Cc1ccc(cc1)CNC(=O)CNc1ccccc1 | InChi: | InChI=1S/C16H18N2O/c1-13-7-9-14(10-8-13)11-18-16(19)12-17-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,18,19) | Definition date: | 2021-11-01 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | N-[(4-methylphenyl)methyl]-N~2~-phenylglycinamide |
|
![9YR 9YR](https://data.pdbj.org/pdbjplus/data/cc/svg/9YR.svg) | 9YR | Name: | 2-(methoxycarbonyl)thiophene-3-sulfonic acid | Formula: | C6 H6 O5 S2 | SMILES: | OS(=O)(=O)c1ccsc1C(=O)OC | InChi: | InChI=1S/C6H6O5S2/c1-11-6(7)5-4(2-3-12-5)13(8,9)10/h2-3H,1H3,(H,8,9,10) | Definition date: | 2021-11-01 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 2-(methoxycarbonyl)thiophene-3-sulfonic acid |
|
![9Z5 9Z5](https://data.pdbj.org/pdbjplus/data/cc/svg/9Z5.svg) | 9Z5 | Name: | (4S)-8-benzyl-2-[(furan-2-yl)methyl]-3-methoxy-6-phenylimidazo[1,2-a]pyrazine | Formula: | C25 H21 N3 O2 | SMILES: | COc1c(nc2c(Cc3ccccc3)nc(cn21)c1ccccc1)Cc1ccco1 | InChi: | InChI=1S/C25H21N3O2/c1-29-25-22(16-20-13-8-14-30-20)27-24-21(15-18-9-4-2-5-10-18)26-23(17-28(24)25)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3 | Definition date: | 2021-11-01 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | (4S)-8-benzyl-2-[(furan-2-yl)methyl]-3-methoxy-6-phenylimidazo[1,2-a]pyrazine |
|
![R1O R1O](https://data.pdbj.org/pdbjplus/data/cc/svg/R1O.svg) | R1O | Name: | N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-lysine | Formula: | C14 H24 N3 O7 P | SMILES: | Oc1c(CNC(CCCCN)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-16-9)8-24-25(21,22)23)7-17-12(14(19)20)4-2-3-5-15/h6,12,17-18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m1/s1 | Definition date: | 2022-06-15 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-lysine |
|
![M5U M5U](https://data.pdbj.org/pdbjplus/data/cc/svg/M5U.svg) | M5U | Name: | dimethyl 2,2'-((12Z,122Z,4S,6Z,8E,10E,15S,17Z,19E,21E)-2,13-dioxo-3,14-dioxa-1(4,2),12(2,4)-dioxazolacyclodocosaphane-6,8,10,17,19,21-hexaene-4,15-diyl)(2S,2'S,3S,3'S,4E,4'E)-bis(3-hydroxyhex-4-enoate) | Formula: | C38 H42 N2 O12 | SMILES: | COC(=O)[CH]([CH](O)C=CC)[CH]1CC=CC=CC=Cc2occ(n2)C(=O)O[CH](CC=CC=CC=Cc3occ(n3)C(=O)O1)[CH]([CH](O)C=CC)C(=O)OC | InChi: | InChI=1S/C38H42N2O12/c1-5-17-27(41)33(37(45)47-3)29-19-13-9-7-11-15-22-32-40-26(24-50-32)36(44)52-30(34(38(46)48-4)28(42)18-6-2)20-14-10-8-12-16-21-31-39-25(23-49-31)35(43)51-29/h5-18,21-24,27-30,33-34,41-42H,19-20H2,1-4H3/b11-7+,12-8+,13-9-,14-10-,17-5+,18-6+,21-16+,22-15+/t27-,28-,29-,30-,33-,34-/m0/s1 | Synonyms: | methyl (E,2S,3S)-2-[(4S,6Z,8E,10E,18S,20Z,22E,24E)-18-[(E,2S,3S)-1-methoxy-3-oxidanyl-1-oxidanylidene-hex-4-en-2-yl]-2,16-bis(oxidanylidene)-3,13,17,27-tetraoxa-29,30-diazatricyclo[24.2.1.1^{12,15}]triaconta-1(28),6,8,10,12(30),14,20,22,24,26(29)-decaen-4-yl]-3-oxidanyl-hex-4-enoate | Definition date: | 2022-07-22 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | methyl (~{E},2~{S},3~{S})-2-[(4~{S},6~{Z},8~{E},10~{E},18~{S},20~{Z},22~{E},24~{E})-18-[(~{E},2~{S},3~{S})-1-methoxy-3-oxidanyl-1-oxidanylidene-hex-4-en-2-yl]-2,16-bis(oxidanylidene)-3,13,17,27-tetraoxa-29,30-diazatricyclo[24.2.1.1^{12,15}]triaconta-1(28),6,8,10,12(30),14,20,22,24,26(29)-decaen-4-yl]-3-oxidanyl-hex-4-enoate |
|
![OCF OCF](https://data.pdbj.org/pdbjplus/data/cc/svg/OCF.svg) | OCF | Name: | 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid | Formula: | C11 H15 N2 O8 P | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=NOCCC(O)=O)c1O | InChi: | InChI=1S/C11H15N2O8P/c1-7-11(16)9(5-13-20-3-2-10(14)15)8(4-12-7)6-21-22(17,18)19/h4-5,16H,2-3,6H2,1H3,(H,14,15)(H2,17,18,19)/b13-5+ | Synonyms: | PYRIDOXAMINE-5'-PHOSPHATE linked to 3-aminooxypropionic acid | Definition date: | 2022-09-04 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid |
|