![L6G L6G](https://data.pdbj.org/pdbjplus/data/cc/svg/L6G.svg) | L6G | Name: | (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione | Formula: | C21 H29 N5 O3 S3 | SMILES: | O=C2NCc1scc(n1)C3=NC(C(=O)NC(C(=O)NC(/C=C/CCS)C2)C(C)C)(C)CS3 | InChi: | InChI=1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1 | Definition date: | 2015-01-20 | Last modified: | 2015-04-03 | Release date: | 2015-04-08 | Identifier: | (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione |
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![L7G L7G](https://data.pdbj.org/pdbjplus/data/cc/svg/L7G.svg) | L7G | Name: | (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione | Formula: | C23 H31 N5 O3 S2 | SMILES: | O=C2NCc1nccc(c1)C3=NC(C(=O)NC(C(=O)NC(/C=C/CCS)C2)C(C)C)(C)CS3 | InChi: | InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-16(6-4-5-9-32)11-18(29)25-12-17-10-15(7-8-24-17)21-28-23(3,13-33-21)22(31)27-19/h4,6-8,10,14,16,19,32H,5,9,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/b6-4+/t16-,19+,23+/m1/s1 | Definition date: | 2014-10-23 | Last modified: | 2015-04-03 | Release date: | 2015-04-08 | Identifier: | (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione |
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![L8G L8G](https://data.pdbj.org/pdbjplus/data/cc/svg/L8G.svg) | L8G | Name: | (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione | Formula: | C23 H31 N5 O3 S2 | SMILES: | O=C1NC(C(=O)NC(/C=C/CCS)CC(=O)NCc3nc(C2=NC1(C)CS2)ccc3)C(C)C | InChi: | InChI=1S/C23H31N5O3S2/c1-14(2)19-20(30)26-15(7-4-5-10-32)11-18(29)24-12-16-8-6-9-17(25-16)21-28-23(3,13-33-21)22(31)27-19/h4,6-9,14-15,19,32H,5,10-13H2,1-3H3,(H,24,29)(H,26,30)(H,27,31)/b7-4+/t15-,19+,23+/m1/s1 | Definition date: | 2014-10-23 | Last modified: | 2015-04-03 | Release date: | 2015-04-08 | Identifier: | (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione |
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![4C2 4C2](https://data.pdbj.org/pdbjplus/data/cc/svg/4C2.svg) | 4C2 | Name: | N-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide | Formula: | C22 H23 F3 N4 O5 S | SMILES: | C=2(NS(c1c(noc1C)C)(=O)=O)C(C(=O)C=2N3CCC(CC3)NCc4ccc(cc4)C(F)(F)F)=O | InChi: | InChI=1S/C22H23F3N4O5S/c1-12-21(13(2)34-27-12)35(32,33)28-17-18(20(31)19(17)30)29-9-7-16(8-10-29)26-11-14-3-5-15(6-4-14)22(23,24)25/h3-6,16,26,28H,7-11H2,1-2H3 | Definition date: | 2015-02-26 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | N-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide |
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![4C6 4C6](https://data.pdbj.org/pdbjplus/data/cc/svg/4C6.svg) | 4C6 | Name: | 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide | Formula: | C22 H25 N3 O5 S | SMILES: | C4(NS(c1c(C)onc1C)(=O)=O)=C(N3CCC(Cc2ccc(cc2)C)CC3)C(=O)C4=O | InChi: | InChI=1S/C22H25N3O5S/c1-13-4-6-16(7-5-13)12-17-8-10-25(11-9-17)19-18(20(26)21(19)27)24-31(28,29)22-14(2)23-30-15(22)3/h4-7,17,24H,8-12H2,1-3H3 | Definition date: | 2015-02-26 | Last modified: | 2015-03-06 | Release date: | 2015-03-11 | Identifier: | 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide |
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![WHW WHW](https://data.pdbj.org/pdbjplus/data/cc/svg/WHW.svg) | WHW | Name: | 9S,13R-12-OXOPHYTODIENOIC ACID | Formula: | C18 H28 O3 | SMILES: | O=C(O)CCCCCCCC1C=CC(=O)C1CC=C/CC | InChi: | InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16+/m0/s1 | Definition date: | 2014-02-27 | Last modified: | 2015-02-27 | Release date: | 2015-03-04 | Identifier: | 8-{(1S,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoic acid |
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![HXJ HXJ](https://data.pdbj.org/pdbjplus/data/cc/svg/HXJ.svg) | HXJ | Name: | 2-[[(E,2S,3R)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium | Formula: | C21 H44 N2 O6 P | SMILES: | O=P(OCC(NC(=O)CCCCC)C(O)/C=C/CCCCC)(OCC[N+](C)(C)C)O | InChi: | InChI=1S/C21H43N2O6P/c1-6-8-10-11-13-14-20(24)19(22-21(25)15-12-9-7-2)18-29-30(26,27)28-17-16-23(3,4)5/h13-14,19-20,24H,6-12,15-18H2,1-5H3,(H-,22,25,26,27)/p+1/b14-13+/t19-,20+/m0/s1 | Definition date: | 2014-07-11 | Last modified: | 2015-02-27 | Release date: | 2015-03-04 | Identifier: | (4S,7S)-4-hydroxy-7-[(1R,2E)-1-hydroxyoct-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphatetradecan-1-aminium 4-oxide |
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![ECP ECP](https://data.pdbj.org/pdbjplus/data/cc/svg/ECP.svg) | ECP | Name: | (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate | Formula: | C20 H36 O7 P2 | SMILES: | O=P(O)(O)OP(=O)(O)OC/C=C(C)CCC1C(=C)CCC2C(CCCC12C)(C)C | InChi: | InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18-,20+/m1/s1 | Definition date: | 2013-06-06 | Last modified: | 2015-01-30 | Release date: | 2015-02-04 | Identifier: | (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate |
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![42H 42H](https://data.pdbj.org/pdbjplus/data/cc/svg/42H.svg) | 42H | Name: | (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide | Formula: | C26 H53 N O7 P | SMILES: | O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCC=C/CCCCCCCC | InChi: | InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/p+1/b13-12-/t25-/m1/s1 | Definition date: | 2015-01-20 | Last modified: | 2015-01-23 | Release date: | 2015-01-28 | Identifier: | (4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide |
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![3UM 3UM](https://data.pdbj.org/pdbjplus/data/cc/svg/3UM.svg) | 3UM | Name: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid | Formula: | C20 H30 O4 | SMILES: | O=C(O)C3(C)C2(O)C(C1CC=C(/C=C)C(C1CC2O)C)(C)CCC3 | InChi: | InChI=1S/C20H30O4/c1-5-13-7-8-15-14(12(13)2)11-16(21)20(24)18(15,3)9-6-10-19(20,4)17(22)23/h5,7,12,14-16,21,24H,1,6,8-11H2,2-4H3,(H,22,23)/t12-,14-,15-,16+,18+,19+,20-/m0/s1 | Definition date: | 2014-11-05 | Last modified: | 2015-01-09 | Release date: | 2015-01-14 | Identifier: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid |
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![W13 W13](https://data.pdbj.org/pdbjplus/data/cc/svg/W13.svg) | W13 | Name: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one | Formula: | C23 H22 Cl3 N O3 S | SMILES: | Clc4ccccc4SC3=C(O)CC(c2c(Cl)c(NC1CCOCC1)ccc2Cl)CC3=O | InChi: | InChI=1S/C23H22Cl3NO3S/c24-15-3-1-2-4-20(15)31-23-18(28)11-13(12-19(23)29)21-16(25)5-6-17(22(21)26)27-14-7-9-30-10-8-14/h1-6,13-14,27-28H,7-12H2/t13-/m1/s1 | Definition date: | 2014-08-26 | Last modified: | 2014-12-19 | Release date: | 2014-12-24 | Identifier: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one |
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![W31 W31](https://data.pdbj.org/pdbjplus/data/cc/svg/W31.svg) | W31 | Name: | (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate | Formula: | C28 H23 Cl3 O4 S | SMILES: | O=C(OC(c1ccccc1)C)Cc4cc(SC3=C(O)CC(c2c(Cl)cccc2Cl)CC3=O)c(Cl)cc4 | InChi: | InChI=1S/C28H23Cl3O4S/c1-16(18-6-3-2-4-7-18)35-26(34)13-17-10-11-20(29)25(12-17)36-28-23(32)14-19(15-24(28)33)27-21(30)8-5-9-22(27)31/h2-12,16,19,32H,13-15H2,1H3/t16-,19-/m0/s1 | Definition date: | 2014-08-26 | Last modified: | 2014-12-19 | Release date: | 2014-12-24 | Identifier: | (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate |
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![9MW 9MW](https://data.pdbj.org/pdbjplus/data/cc/svg/9MW.svg) | 9MW | Name: | methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate | Formula: | C43 H58 N6 O6 | SMILES: | O=C(NC/C=C)C(NC(=O)C(O)(Cc1ccc(cc1)C/C=C)CCCN(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc3ccc(c2ccncc2)cc3)C(C)C | InChi: | InChI=1S/C43H58N6O6/c1-9-12-31-13-15-32(16-14-31)28-43(54,40(52)46-36(30(3)4)38(50)45-24-10-2)23-11-27-49(48-39(51)37(42(5,6)7)47-41(53)55-8)29-33-17-19-34(20-18-33)35-21-25-44-26-22-35/h9-10,13-22,25-26,30,36-37,54H,1-2,11-12,23-24,27-29H2,3-8H3,(H,45,50)(H,46,52)(H,47,53)(H,48,51)/t36-,37+,43+/m0/s1 | Definition date: | 2014-01-31 | Last modified: | 2014-12-05 | Release date: | 2014-12-10 | Identifier: | methyl [(2S)-1-(2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}-2-[4-(pyridin-4-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate |
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![M17 M17](https://data.pdbj.org/pdbjplus/data/cc/svg/M17.svg) | M17 | Name: | methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Formula: | C44 H59 N5 O6 | SMILES: | O=C(NC/C=C)C(NC(=O)C(O)(Cc1ccc(cc1)CC=C)CCCN(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc2ccc(cc2)c3ccccc3)C(C)C | InChi: | InChI=1S/C44H59N5O6/c1-9-15-32-18-20-33(21-19-32)29-44(54,41(52)46-37(31(3)4)39(50)45-27-10-2)26-14-28-49(48-40(51)38(43(5,6)7)47-42(53)55-8)30-34-22-24-36(25-23-34)35-16-12-11-13-17-35/h9-13,16-25,31,37-38,54H,1-2,14-15,26-30H2,3-8H3,(H,45,50)(H,46,52)(H,47,53)(H,48,51)/t37-,38+,44+/m0/s1 | Definition date: | 2014-01-28 | Last modified: | 2014-12-05 | Release date: | 2014-12-10 | Identifier: | methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate |
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![37K 37K](https://data.pdbj.org/pdbjplus/data/cc/svg/37K.svg) | 37K | Name: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate | Formula: | C46 H60 N2 O10 | SMILES: | O=C(N1CCCCC1C(=O)OC(c3cc(OCCN2CCOCC2)ccc3)CCc4ccc(OC)c(OC)c4)C(c5cc(OC)c(OC)c(OC)c5)C6C=CCCC6 | InChi: | InChI=1S/C46H60N2O10/c1-51-39-20-18-32(28-40(39)52-2)17-19-38(34-14-11-15-36(29-34)57-27-24-47-22-25-56-26-23-47)58-46(50)37-16-9-10-21-48(37)45(49)43(33-12-7-6-8-13-33)35-30-41(53-3)44(55-5)42(31-35)54-4/h7,11-12,14-15,18,20,28-31,33,37-38,43H,6,8-10,13,16-17,19,21-27H2,1-5H3/t33-,37+,38-,43+/m1/s1 | Definition date: | 2014-07-04 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate |
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![37M 37M](https://data.pdbj.org/pdbjplus/data/cc/svg/37M.svg) | 37M | Name: | 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid | Formula: | C63 H64 N2 O15 | SMILES: | O=C(N1CCCCC1C(=O)OC(c6cc(OCC(=O)NCc5c(O)ccc2c5OC=4C(=C2c3ccccc3C(=O)O)C=CC(=O)C=4)ccc6)CCc7ccc(OC)c(OC)c7)C(c8cc(OC)c(OC)c(OC)c8)C9C=CCCC9 | InChi: | InChI=1S/C63H64N2O15/c1-73-51-28-22-37(30-53(51)74-2)21-27-50(80-63(72)48-20-11-12-29-65(48)61(69)57(38-14-7-6-8-15-38)40-32-54(75-3)60(77-5)55(33-40)76-4)39-16-13-17-42(31-39)78-36-56(68)64-35-47-49(67)26-25-46-58(43-18-9-10-19-44(43)62(70)71)45-24-23-41(66)34-52(45)79-59(46)47/h7,9-10,13-14,16-19,22-26,28,30-34,38,48,50,57,67H,6,8,11-12,15,20-21,27,29,35-36H2,1-5H3,(H,64,68)(H,70,71)/t38-,48+,50-,57+/m1/s1 | Definition date: | 2014-07-01 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid |
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![PWH PWH](https://data.pdbj.org/pdbjplus/data/cc/svg/PWH.svg) | PWH | Name: | 3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | Formula: | C14 H16 O4 | SMILES: | O=C(OCC=C(/C)C)C=Cc1cc(O)c(O)cc1 | InChi: | InChI=1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+ | Definition date: | 2014-03-28 | Last modified: | 2014-11-21 | Release date: | 2014-11-26 | Identifier: | 3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
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![2VC 2VC](https://data.pdbj.org/pdbjplus/data/cc/svg/2VC.svg) | 2VC | Name: | N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide | Formula: | C27 H39 N9 O5 S | SMILES: | O=C(N1CCN(C)CC1)NC(C(=O)NC(/C=C/S(=O)(=O)c2ncccn2)CCc3ccccc3)CCCONC(=[N@H])N | InChi: | InChI=1S/C27H39N9O5S/c1-35-15-17-36(18-16-35)27(38)33-23(9-5-19-41-34-25(28)29)24(37)32-22(11-10-21-7-3-2-4-8-21)12-20-42(39,40)26-30-13-6-14-31-26/h2-4,6-8,12-14,20,22-23H,5,9-11,15-19H2,1H3,(H,32,37)(H,33,38)(H4,28,29,34)/b20-12+/t22-,23-/m0/s1 | Definition date: | 2014-05-09 | Last modified: | 2014-11-07 | Release date: | 2014-11-12 | Identifier: | N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide |
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![LLK LLK](https://data.pdbj.org/pdbjplus/data/cc/svg/LLK.svg) | LLK | Name: | (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one | Formula: | C15 H14 O2 | SMILES: | O=C(c1ccc2c(c1)ccc(OC)c2)/C=C/C | InChi: | InChI=1S/C15H14O2/c1-3-4-15(16)13-6-5-12-10-14(17-2)8-7-11(12)9-13/h3-10H,1-2H3/b4-3+ | Definition date: | 2013-11-04 | Last modified: | 2014-11-07 | Release date: | 2014-11-12 | Identifier: | (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one |
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![2V5 2V5](https://data.pdbj.org/pdbjplus/data/cc/svg/2V5.svg) | 2V5 | Name: | N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide | Formula: | C29 H41 N7 O5 S | SMILES: | O=C(N1CCN(C)CC1)NC(C(=O)NC(/C=C/S(=O)(=O)c2ccccc2)CCc3ccccc3)CCCONC(=[N@H])N | InChi: | InChI=1S/C29H41N7O5S/c1-35-17-19-36(20-18-35)29(38)33-26(13-8-21-41-34-28(30)31)27(37)32-24(15-14-23-9-4-2-5-10-23)16-22-42(39,40)25-11-6-3-7-12-25/h2-7,9-12,16,22,24,26H,8,13-15,17-21H2,1H3,(H,32,37)(H,33,38)(H4,30,31,34)/t24-,26-/m0/s1 | Definition date: | 2014-05-09 | Last modified: | 2014-11-07 | Release date: | 2014-11-12 | Identifier: | N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide |
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![C1S C1S](https://data.pdbj.org/pdbjplus/data/cc/svg/C1S.svg) | C1S | Name: | 3-(prop-2-en-1-yldisulfanyl)-L-alanine | Formula: | C6 H11 N O2 S2 | SMILES: | O=C(O)C(N)CSSCC=C | InChi: | InChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1 | Definition date: | 2013-09-19 | Last modified: | 2014-11-07 | Release date: | 2014-11-12 | Identifier: | 3-(prop-2-en-1-yldisulfanyl)-L-alanine |
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![3SO 3SO](https://data.pdbj.org/pdbjplus/data/cc/svg/3SO.svg) | 3SO | Name: | {5-hydroxy-4-[(1E)-4-(1H-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate | Formula: | C19 H19 N2 O6 P | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1C=CC(=O)Cc3c2ccccc2nc3)C | InChi: | InChI=1S/C19H19N2O6P/c1-12-19(23)17(14(10-20-12)11-27-28(24,25)26)7-6-15(22)8-13-9-21-18-5-3-2-4-16(13)18/h2-7,9-10,21,23H,8,11H2,1H3,(H2,24,25,26)/b7-6+ | Definition date: | 2014-10-20 | Last modified: | 2014-10-24 | Release date: | 2014-10-29 | Identifier: | {5-hydroxy-4-[(1E)-4-(1H-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate |
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![3H3 3H3](https://data.pdbj.org/pdbjplus/data/cc/svg/3H3.svg) | 3H3 | Name: | 4-{(2R,5S,6E)-2-hydroxy-5-methyl-7-[(2R,3S,4E,6Z,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione | Formula: | C26 H35 N O6 | SMILES: | O=C1NC(=O)CC(C1)CC(O)CC(=O)C(/C=C(/C2OC(=O)C=CCCC=CC=CC2C)C)C | InChi: | InChI=1S/C26H35NO6/c1-17-10-8-6-4-5-7-9-11-25(32)33-26(17)19(3)12-18(2)22(29)16-21(28)13-20-14-23(30)27-24(31)15-20/h4,6,8-12,17-18,20-21,26,28H,5,7,13-16H2,1-3H3,(H,27,30,31)/b6-4-,10-8+,11-9+,19-12+/t17-,18-,21+,26+/m0/s1 | Definition date: | 2014-08-19 | Last modified: | 2014-10-17 | Release date: | 2014-10-22 | Identifier: | 4-{(2R,5S,6E)-2-hydroxy-5-methyl-7-[(2R,3S,4E,6Z,10E)-3-methyl-12-oxooxacyclododeca-4,6,10-trien-2-yl]-4-oxooct-6-en-1-yl}piperidine-2,6-dione |
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![3J6 3J6](https://data.pdbj.org/pdbjplus/data/cc/svg/3J6.svg) | 3J6 | Name: | (3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one | Formula: | C15 H20 O6 | SMILES: | O=C4C(=CC3OC2C1(OC1)C(CC2O)(C)C3(CO)C4O)C | InChi: | InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1 | Definition date: | 2014-08-22 | Last modified: | 2014-10-17 | Release date: | 2014-10-22 | Identifier: | (3beta,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one |
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![6HB 6HB](https://data.pdbj.org/pdbjplus/data/cc/svg/6HB.svg) | 6HB | Name: | 2'-deoxy-N-[(2S)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate) | Formula: | C14 H20 N5 O7 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCC(O)/C=C)CC3O | InChi: | InChI=1S/C14H20N5O7P/c1-2-8(20)4-15-13-12-14(17-6-16-13)19(7-18-12)11-3-9(21)10(26-11)5-25-27(22,23)24/h2,6-11,20-21H,1,3-5H2,(H,15,16,17)(H2,22,23,24)/t8-,9-,10+,11+/m0/s1 | Definition date: | 2014-04-18 | Last modified: | 2014-10-03 | Release date: | 2014-10-08 | Identifier: | 2'-deoxy-N-[(2S)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate) |
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