![VE4 VE4](https://data.pdbj.org/pdbjplus/data/cc/svg/VE4.svg) | VE4 | Name: | 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate | Formula: | C19 H20 N3 O9 P | SMILES: | C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3(O)c2ccccc2NC3=O)C(O)=O)[O-])C)OP(O)(=O)O | InChi: | InChI=1S/C19H20N3O9P/c1-10-16(23)12(11(7-20-10)9-31-32(28,29)30)8-21-15(17(24)25)6-19(27)13-4-2-3-5-14(13)22-18(19)26/h2-5,7-8,21,23,27H,6,9H2,1H3,(H,22,26)(H,24,25)(H2,28,29,30)/b21-8+/t19-/m1/s1 | Definition date: | 2020-07-31 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate |
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![X9D X9D](https://data.pdbj.org/pdbjplus/data/cc/svg/X9D.svg) | X9D | Name: | 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate | Formula: | C19 H20 N3 O9 P | SMILES: | C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3(O)c2ccccc2NC3=O)C(O)=O)[O-])C)OP(O)(=O)O | InChi: | InChI=1S/C19H20N3O9P/c1-10-16(23)12(11(7-20-10)9-31-32(28,29)30)8-21-15(17(24)25)6-19(27)13-4-2-3-5-14(13)22-18(19)26/h2-5,7-8,21,23,27H,6,9H2,1H3,(H,22,26)(H,24,25)(H2,28,29,30)/b21-8+/t19-/m1/s1 | Definition date: | 2020-12-07 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | 4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate |
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![RQA RQA](https://data.pdbj.org/pdbjplus/data/cc/svg/RQA.svg) | RQA | Name: | 5'-O-sulfocytidine | Formula: | C9 H13 N3 O8 S | SMILES: | C1(N=C(N)C=CN1C2C(O)C(C(COS(=O)(=O)O)O2)O)=O | InChi: | InChI=1S/C9H13N3O8S/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H,16,17,18)/t4-,6-,7-,8-/m1/s1 | Definition date: | 2020-02-20 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | 5'-O-sulfocytidine |
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![O2E O2E](https://data.pdbj.org/pdbjplus/data/cc/svg/O2E.svg) | O2E | Name: | (2~{S},3~{R})-2-[(2~{S},3~{R})-1-[(2~{R})-2-azanyl-3-oxidanylidene-propoxy]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid | Formula: | C25 H32 N4 O9 S | SMILES: | C[CH](O)[CH]([CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O)C(=O)OC[CH](N)C=O | InChi: | InChI=1S/C25H32N4O9S/c1-11-19(18(12(2)31)25(37)38-10-14(26)9-30)29-20(24(35)36)21(11)39-16-7-17(27-8-16)22(32)28-15-5-3-4-13(6-15)23(33)34/h3-6,9,11-12,14,16-19,21,27,31H,7-8,10,26H2,1-2H3,(H,28,32)(H,33,34)(H,35,36)/t11-,12-,14+,16+,17+,18-,19-,21+/m1/s1 | Definition date: | 2020-01-21 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | (2~{S},3~{R})-2-[(2~{S},3~{R})-1-[(2~{R})-2-azanyl-3-oxidanylidene-propoxy]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid |
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![OCK OCK](https://data.pdbj.org/pdbjplus/data/cc/svg/OCK.svg) | OCK | Name: | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione | Formula: | C15 H20 N2 O2 | SMILES: | CCC[C]1(C)N(CC)C(=O)c2ccccc2NC1=O | InChi: | InChI=1S/C15H20N2O2/c1-4-10-15(3)14(19)16-12-9-7-6-8-11(12)13(18)17(15)5-2/h6-9H,4-5,10H2,1-3H3,(H,16,19)/t15-/m1/s1 | Definition date: | 2020-02-27 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione |
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![OD8 OD8](https://data.pdbj.org/pdbjplus/data/cc/svg/OD8.svg) | OD8 | Name: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(me
thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol | Formula: | C27 H48 O8 | SMILES: | COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]4[CH](CC[C]4(C)C[CH]12)C(C)C | InChi: | InChI=1S/C27H48O8/c1-13(2)16-8-9-27(4)10-18-15(12-33-5)6-7-17(18)14(3)21(29)25(20(16)27)35-26-24(32)23(31)22(30)19(11-28)34-26/h13-26,28-32H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19-,20-,21-,22-,23+,24-,25-,26-,27-/m1/s1 | Synonyms: | 16-OMe-Fusicoccin H | Definition date: | 2020-02-27 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(methoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol |
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![QBN QBN](https://data.pdbj.org/pdbjplus/data/cc/svg/QBN.svg) | QBN | Name: | 2-[4-[(~{Z})-1,2-diphenylbut-1-enyl]phenoxy]-~{N}-methyl-ethanamine | Formula: | C25 H27 N O | SMILES: | CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCCNC)cc3 | InChi: | InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24- | Definition date: | 2020-06-02 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | 2-[4-[(~{Z})-1,2-diphenylbut-1-enyl]phenoxy]-~{N}-methyl-ethanamine |
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![GXR GXR](https://data.pdbj.org/pdbjplus/data/cc/svg/GXR.svg) | GXR | Name: | (8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | Formula: | C22 H29 Cl O5 | SMILES: | C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(Cl)[CH](O)C[C]2(C)[C]1(O)C(=O)CO | InChi: | InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1 | Definition date: | 2020-10-06 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | (8~{S},9~{R},10~{S},11~{S},13~{S},14~{S},16~{S},17~{R})-9-chloranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
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![H6X H6X](https://data.pdbj.org/pdbjplus/data/cc/svg/H6X.svg) | H6X | Name: | 5-[2-(3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine | Formula: | C31 H42 N6 O3 | SMILES: | COc1cc(CCc2cnc(Nc3ccc(N4CCC(CC4)N5CCN(C)CC5)c(OC)c3)nc2)cc(OC)c1 | InChi: | InChI=1S/C31H42N6O3/c1-35-13-15-36(16-14-35)26-9-11-37(12-10-26)29-8-7-25(19-30(29)40-4)34-31-32-21-24(22-33-31)6-5-23-17-27(38-2)20-28(18-23)39-3/h7-8,17-22,26H,5-6,9-16H2,1-4H3,(H,32,33,34) | Definition date: | 2020-11-20 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | 5-[2-(3,5-dimethoxyphenyl)ethyl]-~{N}-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine |
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![JVK JVK](https://data.pdbj.org/pdbjplus/data/cc/svg/JVK.svg) | JVK | Name: | (2~{S})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid | Formula: | C13 H16 Cl N O3 S | SMILES: | CC(C)[CH](NC(=O)CSc1ccc(Cl)cc1)C(O)=O | InChi: | InChI=1S/C13H16ClNO3S/c1-8(2)12(13(17)18)15-11(16)7-19-10-5-3-9(14)4-6-10/h3-6,8,12H,7H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1 | Definition date: | 2019-04-03 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | (2~{S})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid |
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![K7Z K7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/K7Z.svg) | K7Z | Name: | (2~{S})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid | Formula: | C14 H18 Cl N O3 S | SMILES: | CC(C)[CH](NC(=O)CCSc1ccc(Cl)cc1)C(O)=O | InChi: | InChI=1S/C14H18ClNO3S/c1-9(2)13(14(18)19)16-12(17)7-8-20-11-5-3-10(15)4-6-11/h3-6,9,13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1 | Definition date: | 2019-05-02 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | (2~{S})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid |
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![KK9 KK9](https://data.pdbj.org/pdbjplus/data/cc/svg/KK9.svg) | KK9 | Name: | N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide | Formula: | C16 H16 Cl N O2 | SMILES: | CCC(=O)Nc1ccc(C)c(Oc2ccc(Cl)cc2)c1 | InChi: | InChI=1S/C16H16ClNO2/c1-3-16(19)18-13-7-4-11(2)15(10-13)20-14-8-5-12(17)6-9-14/h4-10H,3H2,1-2H3,(H,18,19) | Definition date: | 2020-07-30 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | ~{N}-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide |
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![KM3 KM3](https://data.pdbj.org/pdbjplus/data/cc/svg/KM3.svg) | KM3 | Name: | {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | Formula: | C26 H36 Fe N6 O2 S | SMILES: | O=C1NC2C(N1)C(SC2)CCCCC(NCCCC[N+]35[Fe]([n+]4ccccc4C3)[n+]6ccccc6C5)=O | InChi: | InChI=1S/C26H36N6O2S.Fe/c33-24(12-2-1-11-23-25-22(19-35-23)30-26(34)31-25)29-15-7-8-16-32(17-20-9-3-5-13-27-20)18-21-10-4-6-14-28-21 | Definition date: | 2020-01-31 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) |
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![EV9 EV9](https://data.pdbj.org/pdbjplus/data/cc/svg/EV9.svg) | EV9 | Name: | [(2~{R})-3-[[(2~{S})-3-[(2~{S})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate | Formula: | C44 H87 N2 O11 P | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)COC(=O)[CH](N)CCCCN)OC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C44H87N2O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-42(48)53-37-40(57-43(49)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-56-58(51,52)55-36-39(47)35-54-44(50)41(46)31-29-30-34-45/h39-41,47H,3-38,45-46H2,1-2H3,(H,51,52)/t39-,40+,41-/m0/s1 | Definition date: | 2020-02-04 | Last modified: | 2021-01-29 | Release date: | 2021-02-03 | Identifier: | [(2~{R})-3-[[(2~{S})-3-[(2~{S})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate |
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![QM5 QM5](https://data.pdbj.org/pdbjplus/data/cc/svg/QM5.svg) | QM5 | Name: | (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid | Formula: | C18 H21 N3 O6 | SMILES: | COc1ccc(NNc2ccc(CO[CH]([CH](N)C(O)=O)C(O)=O)cc2)cc1 | InChi: | InChI=1S/C18H21N3O6/c1-26-14-8-6-13(7-9-14)21-20-12-4-2-11(3-5-12)10-27-16(18(24)25)15(19)17(22)23/h2-9,15-16,20-21H,10,19H2,1H3,(H,22,23)(H,24,25)/t15-,16-/m0/s1 | Definition date: | 2020-06-30 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (2~{S},3~{S})-2-azanyl-3-[[4-[2-(4-methoxyphenyl)hydrazinyl]phenyl]methoxy]butanedioic acid |
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![XC XC](https://data.pdbj.org/pdbjplus/data/cc/svg/XC.svg) | XC | Name: | [(2~{R},3~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-4,5-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C9 H16 N3 O7 P | SMILES: | NC1=NC(=O)N(CC1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2 | InChi: | InChI=1S/C9H16N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h5-6,8,13H,1-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6-,8-/m1/s1 | Definition date: | 2021-01-12 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | [(2~{R},3~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-4,5-dihydropyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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![R2A R2A](https://data.pdbj.org/pdbjplus/data/cc/svg/R2A.svg) | R2A | Name: | (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid | Formula: | C46 H39 N3 O8 | SMILES: | c2(oc1ccc(cc1c2CC(O)=O)C)C#Cc7cc(C(N6CCN(CCNC(=O)c5cc(C#Cc4c(CC(O)=O)c3cc(C)ccc3o4)ccc5)CC6)=O)ccc7 | InChi: | InChI=1S/C46H39N3O8/c1-29-9-13-39-35(23-29)37(27-43(50)51)41(56-39)15-11-31-5-3-7-33(25-31)45(54)47-17-18-48-19-21-49(22-20-48)46(55)34-8-4-6-32(26-34)12-16-42-38(28-44(52)53)36-24-30(2)10-14-40(36)57-42/h3-10,13-14,23-26H,17-22,27-28H2,1-2H3,(H,47,54)(H,50,51)(H,52,53) | Definition date: | 2020-01-24 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid |
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![RVV RVV](https://data.pdbj.org/pdbjplus/data/cc/svg/RVV.svg) | RVV | Name: | 2,4-dimethylpyridine | Formula: | C7 H9 N | SMILES: | Cc1cc(C)ncc1 | InChi: | InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3 | Definition date: | 2020-02-27 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | 2,4-dimethylpyridine |
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![RLZ RLZ](https://data.pdbj.org/pdbjplus/data/cc/svg/RLZ.svg) | RLZ | Name: | ~{N}-[4-[(4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetrakis(oxidanylidene)-1-oxa-5,8,11-triazacyclononadec-15-en-10-yl]butyl]-~{N}'-[5-methoxy-2-[(~{Z})-(3,4,5-trimethoxyphenyl)diazenyl]phenyl]butanediamide | Formula: | C58 H72 N8 O12 | SMILES: | COc1ccc(N=Nc2cc(OC)c(OC)c(OC)c2)c(NC(=O)CCC(=O)NCCCC[CH]3NC(=O)[CH](C)CC(=CCC[CH](C)OC(=O)C[CH](NC(=O)[CH](Cc4c[nH]c5ccccc45)N(C)C3=O)c6ccc(O)cc6)C)c1 | InChi: | InChI=1S/C58H72N8O12/c1-35-14-13-15-37(3)78-54(70)33-47(38-19-21-41(67)22-20-38)63-57(72)49(29-39-34-60-44-17-10-9-16-43(39)44)66(4)58(73)46(62-56(71)36(2)28-35)18-11-12-27-59-52(68)25-26-53(69)61-48-32-42(74-5)23-24-45(48)65-64-40-30-50(75-6)55(77-8)51(31-40)76-7/h9-10,14,16-17,19-24,30-32,34,36-37,46-47,49,60,67H,11-13,15,18,25-29,33H2,1-8H3,(H,59,68)(H,61,69)(H,62,71)(H,63,72)/b35-14+,65-64-/t36-,37-,46-,47+,49+/m0/s1 | Synonyms: | cis-optoJASP-8 | Definition date: | 2020-10-09 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | ~{N}-[4-[(4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-2,6,9,12-tetrakis(oxidanylidene)-1-oxa-5,8,11-triazacyclononadec-15-en-10-yl]butyl]-~{N}'-[5-methoxy-2-[(~{Z})-(3,4,5-trimethoxyphenyl)diazenyl]phenyl]butanediamide |
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![NXQ NXQ](https://data.pdbj.org/pdbjplus/data/cc/svg/NXQ.svg) | NXQ | Name: | 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid | Formula: | C17 H17 F N O5 S | SMILES: | C[S-](O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1 | InChi: | InChI=1S/C17H17FNO5S/c1-25(23)13-4-2-3-11(7-13)9-19-17(22)14-6-5-12(18)8-15(14)24-10-16(20)21/h2-8,23H,9-10H2,1H3,(H,19,22)(H,20,21)/q-1 | Definition date: | 2020-01-07 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)sulfanuidyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid |
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![NYE NYE](https://data.pdbj.org/pdbjplus/data/cc/svg/NYE.svg) | NYE | Name: | 3-azanylnaphthalene-2-carboxylic acid | Formula: | C11 H9 N O2 | SMILES: | Nc1cc2ccccc2cc1C(O)=O | InChi: | InChI=1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14) | Definition date: | 2020-01-09 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | 3-azanylnaphthalene-2-carboxylic acid |
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![WPM WPM](https://data.pdbj.org/pdbjplus/data/cc/svg/WPM.svg) | WPM | Name: | N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide | Formula: | C17 H19 N5 O4 S | SMILES: | C3(N(C)C=CC(NC(CN(C)S(c2cc(cc1cnnc12)C)(=O)=O)=O)=C3)=O | InChi: | InChI=1S/C17H19N5O4S/c1-11-6-12-9-18-20-17(12)14(7-11)27(25,26)22(3)10-15(23)19-13-4-5-21(2)16(24)8-13/h4-9H,10H2,1-3H3,(H,18,20)(H,19,23) | Definition date: | 2020-11-04 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide |
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![S2B S2B](https://data.pdbj.org/pdbjplus/data/cc/svg/S2B.svg) | S2B | Name: | 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one | Formula: | C16 H12 B2 O8 | SMILES: | O[B-]1(O)OC(=O)c2cc(C=Cc3ccc4c(c3)C(=O)O[B-]4(O)O)ccc12 | InChi: | InChI=1S/C16H12B2O8/c19-15-11-7-9(3-5-13(11)17(21,22)25-15)1-2-10-4-6-14-12(8-10)16(20)26-18(14,23)24/h1-8,21-24H/q-2/b2-1+ | Definition date: | 2019-08-20 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one |
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![NZW NZW](https://data.pdbj.org/pdbjplus/data/cc/svg/NZW.svg) | NZW | Name: | ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | Formula: | C26 H28 N4 O4 | SMILES: | COc1ccc(cc1)[CH](C)NC(=O)[CH]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3 | InChi: | InChI=1S/C26H28N4O4/c1-17(18-9-12-20(34-2)13-10-18)28-26(33)23-8-5-15-30(23)24(31)16-27-25(32)22-14-11-19-6-3-4-7-21(19)29-22/h3-4,6-7,9-14,17,23H,5,8,15-16H2,1-2H3,(H,27,32)(H,28,33)/t17-,23-/m0/s1 | Definition date: | 2020-01-13 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide |
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![W8S W8S](https://data.pdbj.org/pdbjplus/data/cc/svg/W8S.svg) | W8S | Name: | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone | Formula: | C26 H24 N4 O4 | SMILES: | Cn2c(cc(c1cc(ccc1)OC)n2)Nc3cc(O)cc(c3C(=O)N4Cc5c(C4)cccc5)O | InChi: | InChI=1S/C26H24N4O4/c1-29-24(13-21(28-29)16-8-5-9-20(10-16)34-2)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-6-3-4-7-18(17)15-30/h3-13,27,31-32H,14-15H2,1-2H3 | Definition date: | 2020-09-30 | Last modified: | 2021-01-22 | Release date: | 2021-01-27 | Identifier: | (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone |
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