![FFQ FFQ](https://data.pdbj.org/pdbjplus/data/cc/svg/FFQ.svg) | FFQ | Name: | [(1R)-1-hydroxypropyl]phosphonic acid | Formula: | C3 H9 O4 P | SMILES: | O=P(O)(O)C(O)CC | InChi: | InChI=1S/C3H9O4P/c1-2-3(4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1 | Synonyms: | Fosfomycin, bound form | Definition date: | 2011-02-18 | Last modified: | 2021-03-13 | Identifier: | [(1R)-1-hydroxypropyl]phosphonic acid |
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![Q4J Q4J](https://data.pdbj.org/pdbjplus/data/cc/svg/Q4J.svg) | Q4J | Name: | Pralsetinib | Formula: | C27 H32 F N9 O2 | SMILES: | c1c(nnc1Nc2cc(C)nc(n2)C3CCC(CC3)(OC)C(=O)NC(C)c4ccc(nc4)n5cc(cn5)F)C | InChi: | InChI=1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19-,27-/m0/s1 | Synonyms: | BLU-667 | Definition date: | 2019-09-20 | Last modified: | 2021-03-13 | Release date: | 2020-11-11 | Identifier: | trans-N-{(1S)-1-[6-(4-fluoro-1H-pyrazol-1-yl)pyridin-3-yl]ethyl}-1-methoxy-4-{4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}cyclohexane-1-carboxamide |
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![FGF FGF](https://data.pdbj.org/pdbjplus/data/cc/svg/FGF.svg) | FGF | Name: | N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide | Formula: | C25 H30 N8 O4 | SMILES: | COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N | InChi: | InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36) | Synonyms: | Roblitinib | Definition date: | 2019-04-02 | Last modified: | 2021-03-13 | Release date: | 2019-05-15 | Identifier: | ~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide |
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![FGV FGV](https://data.pdbj.org/pdbjplus/data/cc/svg/FGV.svg) | FGV | Name: | (1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)] | Formula: | C6 H15 O15 P3 | SMILES: | C1(C(O)C(OP(O)(O)=O)C(O)C(C1O)OP(=O)(O)O)OP(O)(O)=O | InChi: | InChI=1S/C6H15O15P3/c7-1-4(19-22(10,11)12)2(8)6(21-24(16,17)18)3(9)5(1)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4-,5+,6- | Synonyms: | D-myo-inositol-1,3,5-trisphosphate | Definition date: | 2018-03-30 | Last modified: | 2021-03-13 | Release date: | 2018-10-24 | Identifier: | (1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)] |
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![XCT XCT](https://data.pdbj.org/pdbjplus/data/cc/svg/XCT.svg) | XCT | Name: | 4-AMINO-1-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)PYRIMIDIN-2(1H)-ONE | Formula: | C10 H16 N3 O7 P | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)CC2)COP(=O)(O)O | InChi: | InChI=1S/C10H16N3O7P/c11-8-3-4-13(10(15)12-8)9-2-1-6(14)7(20-9)5-19-21(16,17)18/h3-4,6-7,9,14H,1-2,5H2,(H2,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1 | Synonyms: | 2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL CYTOSINE | Definition date: | 2006-06-20 | Last modified: | 2021-03-13 | Identifier: | 4-amino-1-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)pyrimidin-2(1H)-one |
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![XD2 XD2](https://data.pdbj.org/pdbjplus/data/cc/svg/XD2.svg) | XD2 | Name: | (2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C18 H20 N6 O5 S2 | SMILES: | O=CC(NC(=O)C(O)c1ccccc1)C2SCC(=C(N2)C(=O)O)CSc3nnnn3C | InChi: | InChI=1S/C18H20N6O5S2/c1-24-18(21-22-23-24)31-9-11-8-30-16(20-13(11)17(28)29)12(7-25)19-15(27)14(26)10-5-3-2-4-6-10/h2-7,12,14,16,20,26H,8-9H2,1H3,(H,19,27)(H,28,29)/t12-,14-,16-/m1/s1 | Synonyms: | Cefamandole, bound form | Definition date: | 2010-06-09 | Last modified: | 2021-03-13 | Identifier: | (2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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![XGU XGU](https://data.pdbj.org/pdbjplus/data/cc/svg/XGU.svg) | XGU | Name: | 2-AMINO-9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE | Formula: | C11 H16 N5 O7 P | SMILES: | O=C2NC(=Nc1n(cnc12)C3OC(C(O)CC3)COP(=O)(O)O)N | InChi: | InChI=1S/C11H16N5O7P/c12-11-14-9-8(10(18)15-11)13-4-16(9)7-2-1-5(17)6(23-7)3-22-24(19,20)21/h4-7,17H,1-3H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1 | Synonyms: | 2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL GUANINE | Definition date: | 2006-06-20 | Last modified: | 2021-03-13 | Identifier: | 2-amino-9-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-1,9-dihydro-6H-purin-6-one |
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![XLX XLX](https://data.pdbj.org/pdbjplus/data/cc/svg/XLX.svg) | XLX | Name: | 4,4'-(ethylenediimino)bis[4-oxobutyrate] | Formula: | C11 H18 N2 O6 | SMILES: | O=C(NCCNC(=O)CCC(=O)O)CCCC(=O)O | InChi: | InChI=1S/C11H18N2O6/c14-8(2-1-3-10(16)17)12-6-7-13-9(15)4-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19) | Synonyms: | 1,2-bis(maleimido)ethane, hydrolyzed open form | Definition date: | 2012-08-06 | Last modified: | 2021-03-13 | Identifier: | 5-({2-[(3-carboxypropanoyl)amino]ethyl}amino)-5-oxopentanoic acid |
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![XNV XNV](https://data.pdbj.org/pdbjplus/data/cc/svg/XNV.svg) | XNV | Name: | ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | Formula: | C26 H31 N5 O7 | SMILES: | O=C(NC1=CC=CN(C1=O)C(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)CC#C)c3noc(c3)C | InChi: | InChI=1S/C26H31N5O7/c1-4-7-21(31-13-6-8-19(26(31)36)29-24(34)20-14-16(3)38-30-20)25(35)28-18(9-10-22(32)37-5-2)15-17-11-12-27-23(17)33/h1,6,8,13-14,17-18,21H,5,7,9-12,15H2,2-3H3,(H,27,33)(H,28,35)(H,29,34)/t17-,18+,21-/m0/s1 | Synonyms: | AG7404, bound form | Definition date: | 2011-01-14 | Last modified: | 2021-03-13 | Identifier: | ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate |
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![NPM NPM](https://data.pdbj.org/pdbjplus/data/cc/svg/NPM.svg) | NPM | Name: | N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | Formula: | C25 H20 N4 | SMILES: | N(/c1ccc(cc1)Cc3ccc(/N=C/c2ncccc2)cc3)=Cc4ncccc4 | InChi: | InChI=1S/C25H20N4/c1-3-15-26-24(5-1)18-28-22-11-7-20(8-12-22)17-21-9-13-23(14-10-21)29-19-25-6-2-4-16-27-25/h1-16,18-19H,17H2/b28-18+,29-19+ | Synonyms: | 1,1-BIS(N-(4-PHENYL)-2-PYRIDYLCARBOXALDIMINE)METHANE | Definition date: | 2005-11-30 | Last modified: | 2021-03-13 | Identifier: | 4,4'-methanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline} |
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![NRA NRA](https://data.pdbj.org/pdbjplus/data/cc/svg/NRA.svg) | NRA | Name: | norathyriol | Formula: | C13 H8 O6 | SMILES: | O=C1c3c(Oc2c1c(O)cc(O)c2)cc(O)c(O)c3 | InChi: | InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H | Synonyms: | 1,3,6,7-tetrahydroxy-9H-xanthen-9-one | Definition date: | 2011-06-13 | Last modified: | 2021-03-13 | Identifier: | 1,3,6,7-tetrahydroxy-9H-xanthen-9-one |
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![NUB NUB](https://data.pdbj.org/pdbjplus/data/cc/svg/NUB.svg) | NUB | Name: | 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one | Formula: | C20 H23 N3 O2 | SMILES: | CN1C=C(C=C(C)C1=O)c2nc3ccccc3n2CC4CCOCC4 | InChi: | InChI=1S/C20H23N3O2/c1-14-11-16(13-22(2)20(14)24)19-21-17-5-3-4-6-18(17)23(19)12-15-7-9-25-10-8-15/h3-6,11,13,15H,7-10,12H2,1-2H3 | Synonyms: | 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one | Definition date: | 2019-12-16 | Last modified: | 2021-03-13 | Release date: | 2020-01-15 | Identifier: | 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one |
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![NUH NUH](https://data.pdbj.org/pdbjplus/data/cc/svg/NUH.svg) | NUH | Name: | 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one | Formula: | C13 H13 N O2 | SMILES: | COc1cccc(c1)C2=CN(C)C(=O)C=C2 | InChi: | InChI=1S/C13H13NO2/c1-14-9-11(6-7-13(14)15)10-4-3-5-12(8-10)16-2/h3-9H,1-2H3 | Synonyms: | 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | Definition date: | 2019-12-16 | Last modified: | 2021-03-13 | Release date: | 2020-01-15 | Identifier: | 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one |
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![NUW NUW](https://data.pdbj.org/pdbjplus/data/cc/svg/NUW.svg) | NUW | Name: | 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide | Formula: | C25 H30 N4 O3 | SMILES: | CNC(=O)c1ccc2n(CC3CCN(CC3)C(C)=O)c(nc2c1)c4cc(C)c(O)c(C)c4 | InChi: | InChI=1S/C25H30N4O3/c1-15-11-20(12-16(2)23(15)31)24-27-21-13-19(25(32)26-4)5-6-22(21)29(24)14-18-7-9-28(10-8-18)17(3)30/h5-6,11-13,18,31H,7-10,14H2,1-4H3,(H,26,32) | Synonyms: | 1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide | Definition date: | 2019-12-16 | Last modified: | 2021-03-13 | Release date: | 2020-01-15 | Identifier: | 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide |
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![O1C O1C](https://data.pdbj.org/pdbjplus/data/cc/svg/O1C.svg) | O1C | Name: | 2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3 | Formula: | C30 H50 O4 | SMILES: | OC1CC(C(=C)C(O)C1CCCO)=CC=C2/CCCC3(C)C(C(C)CCCC(O)(C)C)CCC23 | InChi: | InChI=1S/C30H50O4/c1-20(9-6-16-29(3,4)34)25-14-15-26-22(10-7-17-30(25,26)5)12-13-23-19-27(32)24(11-8-18-31)28(33)21(23)2/h12-13,20,24-28,31-34H,2,6-11,14-19H2,1,3-5H3/b22-12+,23-13-/t20-,24+,25-,26+,27-,28-,30-/m1/s1 | Synonyms: | 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPYL)-,(1A,2A,3B,5Z,7E) | Definition date: | 2006-06-20 | Last modified: | 2021-03-13 | Identifier: | (1S,2S,3R,5Z,7E,14beta,17alpha)-2-(3-hydroxypropyl)-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
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![XXG XXG](https://data.pdbj.org/pdbjplus/data/cc/svg/XXG.svg) | XXG | Name: | 3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid | Formula: | C6 H6 O6 S | SMILES: | O=S(=O)(O)C1=CC(O)(O)C(=O)C=C1 | InChi: | InChI=1S/C6H6O6S/c7-5-2-1-4(13(10,11)12)3-6(5,8)9/h1-3,8-9H,(H,10,11,12) | Synonyms: | 1,1-dihydroxy-2-keto-5-sulfonyl-cyclohexa-3,5-diene | Definition date: | 2008-09-09 | Last modified: | 2021-03-13 | Identifier: | 3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid |
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![YR3 YR3](https://data.pdbj.org/pdbjplus/data/cc/svg/YR3.svg) | YR3 | Name: | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol | Formula: | C28 H42 O5 | SMILES: | O(c1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC)CC(O)CO | InChi: | InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1 | Synonyms: | (2S)-3-[4-(3-{4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-2-methylphenoxy]propane-1,2-diol | Definition date: | 2008-01-17 | Last modified: | 2021-03-13 | Identifier: | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propyl]-2-methylphenoxy}propane-1,2-diol |
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![YTT YTT](https://data.pdbj.org/pdbjplus/data/cc/svg/YTT.svg) | YTT | Name: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione | Formula: | C18 H18 N2 O4 | SMILES: | O=C1NC(C(=O)NC1Cc2ccc(O)cc2)Cc3ccc(O)cc3 | InChi: | InChI=1S/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)/t15-,16-/m0/s1 | Synonyms: | cyclo(tyrosyl-tyrosyl) | Definition date: | 2009-03-12 | Last modified: | 2021-03-13 | Identifier: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione |
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![YXS YXS](https://data.pdbj.org/pdbjplus/data/cc/svg/YXS.svg) | YXS | Name: | (2S)-sulfonatepropionyl-CoA | Formula: | C24 H40 N7 O20 P3 S2 | SMILES: | O=P(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(S(O)(=O)=O)C)(O)=O)(O)=O)(O)O | InChi: | InChI=1S/C24H40N7O20P3S2/c1-12(56(44,45)46)23(36)55-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-48-54(42,43)51-53(40,41)47-8-13-17(50-52(37,38)39)16(33)22(49-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)(H,44,45,46)/t12-,13+,16+,17+,18-,22+/m0/s1 | Synonyms: | (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propane-2-sulfonic acid | Definition date: | 2019-02-25 | Last modified: | 2021-03-13 | Release date: | 2019-04-10 | Identifier: | (3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name) |
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![YY3 YY3](https://data.pdbj.org/pdbjplus/data/cc/svg/YY3.svg) | YY3 | Name: | N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide | Formula: | C28 H33 N7 O2 | SMILES: | CN(CCN(c1cc(c(cc1NC(C=C)=O)Nc2nc(ccn2)c3cn(c4c3cccc4)C)OC)C)C | InChi: | InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | Synonyms: | Osimertinib | Definition date: | 2015-04-14 | Last modified: | 2021-03-13 | Release date: | 2015-11-11 | Identifier: | N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide |
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![G72 G72](https://data.pdbj.org/pdbjplus/data/cc/svg/G72.svg) | G72 | Name: | (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol | Formula: | C31 H44 F6 O4 | SMILES: | FC(F)(F)C(O)(C#CCC(CCCC(O)(C)C)C2CCC3C(=CC=C1CC(O)CC(O)C1)CCCC23C)C(F)(F)F | InChi: | InChI=1S/C31H44F6O4/c1-27(2,40)14-4-7-21(9-6-16-29(41,30(32,33)34)31(35,36)37)25-12-13-26-22(8-5-15-28(25,26)3)11-10-20-17-23(38)19-24(39)18-20/h10-11,21,23-26,38-41H,4-5,7-9,12-15,17-19H2,1-3H3/b22-11+/t21-,23+,24+,25+,26-,28+/m0/s1 | Synonyms: | 1,25-dihydroxy-20S-21(3-trideuteromethyl-3-hydroxy-4,4,4-trideuterobutyl)-23-yne-26,27-hexafluoro-19-nor-cholecalciferol | Definition date: | 2010-07-22 | Last modified: | 2021-03-12 | Identifier: | (1R,3R,7E,17beta)-17-[(6S)-1,1,1-trifluoro-2,10-dihydroxy-10-methyl-2-(trifluoromethyl)undec-3-yn-6-yl]-9,10-secoestra-5,7-diene-1,3-diol |
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![HZF HZF](https://data.pdbj.org/pdbjplus/data/cc/svg/HZF.svg) | HZF | Name: | (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid | Formula: | C22 H28 N4 O4 | SMILES: | CCC(CC)O[CH]1C=C(C[CH]([CH]1NC(C)=O)n2cc(nn2)c3ccccc3)C(O)=O | InChi: | InChI=1S/C22H28N4O4/c1-4-17(5-2)30-20-12-16(22(28)29)11-19(21(20)23-14(3)27)26-13-18(24-25-26)15-9-7-6-8-10-15/h6-10,12-13,17,19-21H,4-5,11H2,1-3H3,(H,23,27)(H,28,29)/t19-,20+,21+/m0/s1 | Definition date: | 2021-03-02 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | (3~{R},4~{R},5~{S})-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid |
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![GZF GZF](https://data.pdbj.org/pdbjplus/data/cc/svg/GZF.svg) | GZF | Name: | [(2R,3R,4S,5S)-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate | Formula: | C10 H15 N5 O10 P2 S | SMILES: | Nc1nc(O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O)c2n1 | InChi: | InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5+,6+,9+/m1/s1 | Definition date: | 2020-10-12 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | [(2~{R},3~{R},4~{S},5~{S})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl bis(oxidanyl)phosphinothioyl hydrogen phosphate |
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![QO7 QO7](https://data.pdbj.org/pdbjplus/data/cc/svg/QO7.svg) | QO7 | Name: | 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide | Formula: | C17 H15 Br F2 N4 O3 | SMILES: | c1(ccc(cc1F)Br)Nc2c(C(NOCCO)=O)cc3c(c2F)ncn3C | InChi: | InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26) | Definition date: | 2019-12-02 | Last modified: | 2021-03-12 | Release date: | 2020-12-02 | Identifier: | 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide |
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![QOA QOA](https://data.pdbj.org/pdbjplus/data/cc/svg/QOA.svg) | QOA | Name: | N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide | Formula: | C15 H15 F I N3 O3 | SMILES: | c2(Nc1ccc(cc1F)I)c(C(=O)NCC(O)CO)ccnc2 | InChi: | InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1 | Definition date: | 2019-12-02 | Last modified: | 2021-03-12 | Release date: | 2020-12-02 | Identifier: | N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide |
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