![ZSS ZSS](https://data.pdbj.org/pdbjplus/data/cc/svg/ZSS.svg) | ZSS | Name: | (1R)-1-(4-chlorophenyl)ethyl carbamimidothioate | Formula: | C9 H11 Cl N2 S | SMILES: | Clc1ccc(cc1)C(C)SC(=N)N | InChi: | InChI=1S/C9H11ClN2S/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H3,11,12)/t6-/m1/s1 | Definition date: | 2021-05-28 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (1R)-1-(4-chlorophenyl)ethyl carbamimidothioate |
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![ZSY ZSY](https://data.pdbj.org/pdbjplus/data/cc/svg/ZSY.svg) | ZSY | Name: | N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide | Formula: | C19 H17 N3 O3 | SMILES: | O=C(c1ccc(nc1O)c1ccco1)N(Cc1ccccn1)C1CC1 | InChi: | InChI=1S/C19H17N3O3/c23-18-15(8-9-16(21-18)17-5-3-11-25-17)19(24)22(14-6-7-14)12-13-4-1-2-10-20-13/h1-5,8-11,14H,6-7,12H2,(H,21,23) | Definition date: | 2021-05-28 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide |
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![T0H T0H](https://data.pdbj.org/pdbjplus/data/cc/svg/T0H.svg) | T0H | Name: | (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol | Formula: | C27 H40 O3 | SMILES: | CC(C)(O)CCC[CH]=[C]=[C]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C | InChi: | InChI=1S/C27H40O3/c1-19-21(17-23(28)18-25(19)29)12-11-20-9-8-16-27(4)22(13-14-24(20)27)10-6-5-7-15-26(2,3)30/h6,11-12,23-25,28-30H,1,5,7-9,13-18H2,2-4H3/b20-11+,21-12-/t10?,23-,24+,25+,27-/m1/s1 | Synonyms: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(6-methyl-6-oxidanyl-hept-1-enylidene)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol | Definition date: | 2020-12-09 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(6-methyl-6-oxidanyl-hept-1-enylidene)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
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![GJU GJU](https://data.pdbj.org/pdbjplus/data/cc/svg/GJU.svg) | GJU | Name: | 9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine | Formula: | C14 H13 Cl F2 N6 O | SMILES: | C[CH](n1cnc2c(N)nc(Cl)nc12)c3cc(OCC(F)F)ccn3 | InChi: | InChI=1S/C14H13ClF2N6O/c1-7(9-4-8(2-3-19-9)24-5-10(16)17)23-6-20-11-12(18)21-14(15)22-13(11)23/h2-4,6-7,10H,5H2,1H3,(H2,18,21,22)/t7-/m0/s1 | Definition date: | 2020-09-01 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine |
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![GKU GKU](https://data.pdbj.org/pdbjplus/data/cc/svg/GKU.svg) | GKU | Name: | 4-[(2R)-2-(methylamino)propyl]phenol | Formula: | C10 H15 N O | SMILES: | CN[CH](C)Cc1ccc(O)cc1 | InChi: | InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m1/s1 | Definition date: | 2020-09-04 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 4-[(2~{R})-2-(methylamino)propyl]phenol |
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![0HJ 0HJ](https://data.pdbj.org/pdbjplus/data/cc/svg/0HJ.svg) | 0HJ | Name: | 6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside | Formula: | C62 H118 O13 | SMILES: | CCCCCCC1CC1CCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCCCCCCCCC)C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O | InChi: | InChI=1S/C62H118O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-29-32-35-39-43-50(60(71)72-47-53-55(66)57(68)59(70)62(74-53)75-61-58(69)56(67)54(65)52(46-63)73-61)51(64)44-40-36-33-30-27-24-21-18-19-22-25-28-31-34-38-42-49-45-48(49)41-37-8-6-4-2/h48-59,61-70H,3-47H2,1-2H3/t48-,49-,50+,51+,52-,53-,54-,55-,56+,57+,58-,59-,61-,62-/m1/s1 | Definition date: | 2021-06-09 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | 6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside |
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![J3C J3C](https://data.pdbj.org/pdbjplus/data/cc/svg/J3C.svg) | J3C | Name: | (7R,8R,9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol | Formula: | C18 H19 N3 O2 | SMILES: | Cc1nc2n(ccc3[CH](O)[CH](O)[CH](Nc23)c4ccccc4)c1C | InChi: | InChI=1S/C18H19N3O2/c1-10-11(2)21-9-8-13-15(18(21)19-10)20-14(17(23)16(13)22)12-6-4-3-5-7-12/h3-9,14,16-17,20,22-23H,1-2H3/t14-,16+,17+/m0/s1 | Definition date: | 2021-03-30 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (7~{R},8~{R},9~{S})-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol |
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![2UI 2UI](https://data.pdbj.org/pdbjplus/data/cc/svg/2UI.svg) | 2UI | Name: | (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol | Formula: | C30 H54 O3 | SMILES: | C[CH](CC[CH](O)CCO)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O | InChi: | InChI=1S/C30H54O3/c1-20(6-8-23(32)14-17-31)25-10-11-26-24-9-7-22-18-21(19-28(2,3)33)12-15-29(22,4)27(24)13-16-30(25,26)5/h20-27,31-33H,6-19H2,1-5H3/t20-,21-,22-,23-,24+,25-,26+,27+,29+,30-/m1/s1 | Synonyms: | CAR-R | Definition date: | 2021-06-23 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (3~{R},6~{R})-6-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol |
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![2WV 2WV](https://data.pdbj.org/pdbjplus/data/cc/svg/2WV.svg) | 2WV | Name: | (3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol | Formula: | C30 H54 O3 | SMILES: | C[CH](CC[CH](O)CCO)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O | InChi: | InChI=1S/C30H54O3/c1-20(6-8-23(32)14-17-31)25-10-11-26-24-9-7-22-18-21(19-28(2,3)33)12-15-29(22,4)27(24)13-16-30(25,26)5/h20-27,31-33H,6-19H2,1-5H3/t20-,21-,22-,23+,24+,25-,26+,27+,29+,30-/m1/s1 | Synonyms: | CAR-S | Definition date: | 2021-06-23 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (3~{S},6~{R})-6-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol |
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![4IT 4IT](https://data.pdbj.org/pdbjplus/data/cc/svg/4IT.svg) | 4IT | Name: | N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Formula: | C23 H31 N5 O4 | SMILES: | COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N | InChi: | InChI=1S/C23H31N5O4/c1-13(2)9-18(22(30)26-15(12-24)10-14-7-8-25-21(14)29)28-23(31)19-11-16-17(27-19)5-4-6-20(16)32-3/h4-6,11-15,18,24,27H,7-10H2,1-3H3,(H,25,29)(H,26,30)(H,28,31)/b24-12+/t14-,15-,18-/m0/s1 | Definition date: | 2021-07-09 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
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![4LY 4LY](https://data.pdbj.org/pdbjplus/data/cc/svg/4LY.svg) | 4LY | Name: | [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile | Formula: | C28 H29 F2 N9 O2 S | SMILES: | O=S(=O)(CC)N1CC(C1)(CC#N)n1ncc(c1)c1nc(Nc2cc(F)c(C3=CCN(C)CC3)c(F)c2)nc2[NH]ccc21 | InChi: | InChI=1S/C28H29F2N9O2S/c1-3-42(40,41)38-16-28(17-38,7-8-31)39-15-19(14-33-39)25-21-4-9-32-26(21)36-27(35-25)34-20-12-22(29)24(23(30)13-20)18-5-10-37(2)11-6-18/h4-5,9,12-15H,3,6-7,10-11,16-17H2,1-2H3,(H2,32,34,35,36) | Definition date: | 2021-07-13 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile |
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![4Q4 4Q4](https://data.pdbj.org/pdbjplus/data/cc/svg/4Q4.svg) | 4Q4 | Name: | {3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol | Formula: | C21 H26 Cl2 N4 O2 | SMILES: | Clc1cccc(c1Cl)c1nc(CO)c(nc1C)N1CCC2(CC1)COC(C)C2N | InChi: | InChI=1S/C21H26Cl2N4O2/c1-12-18(14-4-3-5-15(22)17(14)23)26-16(10-28)20(25-12)27-8-6-21(7-9-27)11-29-13(2)19(21)24/h3-5,13,19,28H,6-11,24H2,1-2H3/t13-,19+/m0/s1 | Definition date: | 2021-07-13 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | {3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol |
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![PA1 PA1](https://data.pdbj.org/pdbjplus/data/cc/svg/PA1.svg) | PA1 | Name: | 2-amino-2-deoxy-alpha-D-glucopyranose | Formula: | C6 H13 N O5 | SMILES: | OC1C(O)C(OC(O)C1N)CO | InChi: | InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1 | Synonyms: | alpah-D-glucosamine | Definition date: | 1999-07-08 | Last modified: | 2021-08-24 | Identifier: | 2-amino-2-deoxy-alpha-D-glucopyranose |
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![A4W A4W](https://data.pdbj.org/pdbjplus/data/cc/svg/A4W.svg) | A4W | Name: | ~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide | Formula: | C9 H9 Cl F N O S | SMILES: | Fc1c(Cl)cccc1NC(=O)CCS | InChi: | InChI=1S/C9H9ClFNOS/c10-6-2-1-3-7(9(6)11)12-8(13)4-5-14/h1-3,14H,4-5H2,(H,12,13) | Definition date: | 2017-08-16 | Last modified: | 2021-08-23 | Release date: | 2017-11-01 | Identifier: | ~{N}-(3-chloranyl-2-fluoranyl-phenyl)-3-sulfanyl-propanamide |
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![NLW NLW](https://data.pdbj.org/pdbjplus/data/cc/svg/NLW.svg) | NLW | Name: | L-leucinamide | Formula: | C6 H14 N2 O | SMILES: | CC(CC(C(N)=O)N)C | InChi: | InChI=1S/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1 | Definition date: | 2016-03-22 | Last modified: | 2021-08-21 | Release date: | 2016-08-03 | Identifier: | L-leucinamide |
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![YBS YBS](https://data.pdbj.org/pdbjplus/data/cc/svg/YBS.svg) | YBS | Name: | [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone | Formula: | C23 H23 N3 O2 | SMILES: | OC1(CCN(CC1)C(=O)c2cccnc2c3ccncc3)Cc4ccccc4 | InChi: | InChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2 | Definition date: | 2021-02-17 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone |
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![VJM VJM](https://data.pdbj.org/pdbjplus/data/cc/svg/VJM.svg) | VJM | Name: | 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine | Formula: | C20 H26 N6 O2 S | SMILES: | CC1COCCN1c5cc(C2(S(C)(N)O)CC2)nc(c3ccnc4c3ccn4)n5 | InChi: | InChI=1S/C20H26N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,27H,5-6,9-10,12,21H2,1-2H3,(H,22,23)/t13-/m1/s1 | Definition date: | 2020-08-17 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine |
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![VK1 VK1](https://data.pdbj.org/pdbjplus/data/cc/svg/VK1.svg) | VK1 | Name: | 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide | Formula: | C13 H21 N5 O2 S2 | SMILES: | C1(N(CCOC1)c3cc(C2(CC2)S(N)(=N)=O)nc(n3)SC)C | InChi: | InChI=1S/C13H21N5O2S2/c1-9-8-20-6-5-18(9)11-7-10(16-12(17-11)21-2)13(3-4-13)22(14,15)19/h7,9H,3-6,8H2,1-2H3,(H3,14,15,19)/t9-/m1/s1 | Definition date: | 2020-08-18 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide |
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![YCD YCD](https://data.pdbj.org/pdbjplus/data/cc/svg/YCD.svg) | YCD | Name: | (4~{R})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid | Formula: | C16 H18 F N2 O7 P | SMILES: | Oc1c(CNc2cc(ccc2CF)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C16H18FN2O7P/c1-9-15(20)13(12(6-18-9)8-26-27(23,24)25)7-19-14-4-10(16(21)22)2-3-11(14)5-17/h2-4,6,19-20H,5,7-8H2,1H3,(H,21,22)(H2,23,24,25) | Definition date: | 2021-02-17 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | 4-(fluoromethyl)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid |
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![TWW TWW](https://data.pdbj.org/pdbjplus/data/cc/svg/TWW.svg) | TWW | Name: | (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid | Formula: | C8 H13 N O4 S2 | SMILES: | CCOC(=O)[C]1(CS)N[CH](CS1)C(O)=O | InChi: | InChI=1S/C8H13NO4S2/c1-2-13-7(12)8(4-14)9-5(3-15-8)6(10)11/h5,9,14H,2-4H2,1H3,(H,10,11)/t5-,8+/m0/s1 | Definition date: | 2021-01-14 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
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![YCG YCG](https://data.pdbj.org/pdbjplus/data/cc/svg/YCG.svg) | YCG | Name: | [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone | Formula: | C18 H19 N3 O | SMILES: | Cc1ccccc1C2=NN(C(=O)c3ccncc3)C(C)(C)C2 | InChi: | InChI=1S/C18H19N3O/c1-13-6-4-5-7-15(13)16-12-18(2,3)21(20-16)17(22)14-8-10-19-11-9-14/h4-11H,12H2,1-3H3 | Definition date: | 2021-02-18 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone |
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![YCJ YCJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YCJ.svg) | YCJ | Name: | (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone | Formula: | C25 H26 N2 O2 | SMILES: | Cc1ccc(c2ccncc2)c(c1)C(=O)N3CCC(O)(CC3)Cc4ccccc4 | InChi: | InChI=1S/C25H26N2O2/c1-19-7-8-22(21-9-13-26-14-10-21)23(17-19)24(28)27-15-11-25(29,12-16-27)18-20-5-3-2-4-6-20/h2-10,13-14,17,29H,11-12,15-16,18H2,1H3 | Definition date: | 2021-02-18 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone |
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![UPB UPB](https://data.pdbj.org/pdbjplus/data/cc/svg/UPB.svg) | UPB | Name: | 3-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | Formula: | C33 H36 N4 O6 | SMILES: | CC=C1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O | InChi: | InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,34H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,26-13-,27-14-,29-15-/t19-/m1/s1 | Definition date: | 2021-03-16 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | 3-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-[(3~{Z},4~{R})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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![YSS YSS](https://data.pdbj.org/pdbjplus/data/cc/svg/YSS.svg) | YSS | Name: | 15R-methyl-prostaglandin D2 | Formula: | C21 H34 O5 | SMILES: | OC1CC(=O)C(/C=C/C(C)(O)CCCCC)C1CC=C/CCCC(=O)O | InChi: | InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21-/m1/s1 | Synonyms: | (5Z,13E,15R,16E)-9alpha,15-dihydroxy-15-methyl-11-oxo-12alpha-prosta-5,13,16-trien-1-oic acid | Definition date: | 2021-03-31 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | (5Z,13E,15R)-9alpha,15-dihydroxy-15-methyl-11-oxo-12alpha-prosta-5,13-dien-1-oic acid |
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![YF6 YF6](https://data.pdbj.org/pdbjplus/data/cc/svg/YF6.svg) | YF6 | Name: | N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide | Formula: | C33 H37 N7 O3 S | SMILES: | c1c(NS(CC)(=O)=O)c4c(cc1C2=CN(C(C(=C2)NC3CCNCC3)=O)C)n(cc4)C(C)(c5ncccc5)c6ncccc6 | InChi: | InChI=1S/C33H37N7O3S/c1-4-44(42,43)38-27-19-23(24-20-28(32(41)39(3)22-24)37-25-11-16-34-17-12-25)21-29-26(27)13-18-40(29)33(2,30-9-5-7-14-35-30)31-10-6-8-15-36-31/h5-10,13-15,18-22,25,34,37-38H,4,11-12,16-17H2,1-3H3 | Definition date: | 2020-07-30 | Last modified: | 2021-08-20 | Release date: | 2021-08-25 | Identifier: | N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide |
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