![TA2 TA2](https://data.pdbj.org/pdbjplus/data/cc/svg/TA2.svg) | TA2 | Name: | (2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-DIOL | Formula: | C9 H11 N O3 | SMILES: | OCC(O)C(N)c1ccccc1 | InChi: | InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1 | Definition date: | 2006-09-22 | Last modified: | 2024-06-28 | Identifier: | (2R,3S)-3-amino-3-phenylpropane-1,2-diol |
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![O1O O1O](https://data.pdbj.org/pdbjplus/data/cc/svg/O1O.svg) | O1O | Name: | 1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione | Formula: | C21 H19 F3 N2 O7 S | SMILES: | CN1C(=O)N(C(=O)C=C1C(F)(F)F)c2c(C)c(ccc2[S](C)(=O)=O)C(=O)C3=C(O)CCCC3=O | InChi: | InChI=1S/C21H19F3N2O7S/c1-10-11(19(30)17-12(27)5-4-6-13(17)28)7-8-14(34(3,32)33)18(10)26-16(29)9-15(21(22,23)24)25(2)20(26)31/h7-9,27H,4-6H2,1-3H3 | Definition date: | 2023-01-20 | Last modified: | 2023-12-15 | Release date: | 2023-12-20 | Identifier: | 1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione |
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![2L5 2L5](https://data.pdbj.org/pdbjplus/data/cc/svg/2L5.svg) | 2L5 | Name: | 2-chloro-L-phenylalanine | Formula: | C9 H10 Cl N O2 | SMILES: | Clc1ccccc1CC(C(=O)O)N | InChi: | InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | Definition date: | 2013-11-25 | Last modified: | 2023-11-03 | Release date: | 2014-10-15 | Identifier: | 2-chloro-L-phenylalanine |
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![AGQ AGQ](https://data.pdbj.org/pdbjplus/data/cc/svg/AGQ.svg) | AGQ | Name: | 3-[(3E)-3-(carbamimidoylhydrazono)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine | Formula: | C10 H13 N5 O4 | SMILES: | O=C1C=C(O)/C(=N/NC(=[N@H])N)C=C1CC(C(=O)O)N | InChi: | InChI=1S/C10H13N5O4/c11-5(9(18)19)1-4-2-6(14-15-10(12)13)8(17)3-7(4)16/h2-3,5,17H,1,11H2,(H,18,19)(H4,12,13,15)/b14-6+/t5-/m0/s1 | Definition date: | 2010-05-17 | Last modified: | 2023-11-03 | Identifier: | 3-[(3E)-3-(2-carbamimidoylhydrazinylidene)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
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![COH COH](https://data.pdbj.org/pdbjplus/data/cc/svg/COH.svg) | COH | Name: | PROTOPORPHYRIN IX CONTAINING CO | Formula: | C34 H32 Co N4 O4 | SMILES: | CC1=C(CCC(O)=O)C2=Cc3n4[Co][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C | InChi: | InChI=1S/C34H34N4O4.Co/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 |
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![FDE FDE](https://data.pdbj.org/pdbjplus/data/cc/svg/FDE.svg) | FDE | Name: | FE(III) DEUTEROPORPHYRIN IX | Formula: | C30 H28 Fe N4 O4 | SMILES: | CC1=CC2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4cc3C)C(=C6CCC(O)=O)C)C | InChi: | InChI=1S/C30H30N4O4.Fe/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20 | Definition date: | 2005-09-13 | Last modified: | 2023-09-23 |
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![Z0I Z0I](https://data.pdbj.org/pdbjplus/data/cc/svg/Z0I.svg) | Z0I | Name: | N-(1H-indol-7-yl)acetamide | Formula: | C10 H10 N2 O | SMILES: | CC(=O)Nc1cccc2cc[NH]c12 | InChi: | InChI=1S/C10H10N2O/c1-7(13)12-9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3,(H,12,13) | Definition date: | 2023-06-22 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | N-(1H-indol-7-yl)acetamide |
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![BOV BOV](https://data.pdbj.org/pdbjplus/data/cc/svg/BOV.svg) | BOV | Name: | 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide | Formula: | C22 H27 F2 N5 O4 | SMILES: | CC(C)C[CH](NC(=O)c1[nH]c2cccc(F)c2c1)C(=O)NN(C[CH]3CCNC3=O)C(=O)CF | InChi: | InChI=1S/C22H27F2N5O4/c1-12(2)8-17(27-21(32)18-9-14-15(24)4-3-5-16(14)26-18)22(33)28-29(19(30)10-23)11-13-6-7-25-20(13)31/h3-5,9,12-13,17,26H,6-8,10-11H2,1-2H3,(H,25,31)(H,27,32)(H,28,33)/t13-,17-/m0/s1 | Definition date: | 2022-03-29 | Last modified: | 2022-11-04 | Release date: | 2022-11-09 | Identifier: | 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide |
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![RM6 RM6](https://data.pdbj.org/pdbjplus/data/cc/svg/RM6.svg) | RM6 | Name: | [(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid | Formula: | C15 H16 N2 O3 S | SMILES: | O=C(O)CC1CC(C1)CNC(=O)c1cc2ccsc2cn1 | InChi: | InChI=1S/C15H16N2O3S/c18-14(19)5-9-3-10(4-9)7-17-15(20)12-6-11-1-2-21-13(11)8-16-12/h1-2,6,8-10H,3-5,7H2,(H,17,20)(H,18,19)/t9-,10- | Definition date: | 2022-06-23 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | [(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid |
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![QZO QZO](https://data.pdbj.org/pdbjplus/data/cc/svg/QZO.svg) | QZO | Name: | (1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid | Formula: | C17 H15 F N4 O2 | SMILES: | O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid |
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![QZX QZX](https://data.pdbj.org/pdbjplus/data/cc/svg/QZX.svg) | QZX | Name: | (1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid | Formula: | C17 H15 F N4 O2 | SMILES: | O=C(O)C1C2CCN(CC12)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C17H15FN4O2/c18-8-1-2-10-12(5-8)21-15-14(10)16(20-7-19-15)22-4-3-9-11(6-22)13(9)17(23)24/h1-2,5,7,9,11,13H,3-4,6H2,(H,23,24)(H,19,20,21)/t9-,11+,13+/m0/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid |
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![UAT UAT](https://data.pdbj.org/pdbjplus/data/cc/svg/UAT.svg) | UAT | Name: | 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide | Formula: | C14 H20 N2 O | SMILES: | CC1CCN(CC1)C(=O)NCc2ccccc2 | InChi: | InChI=1S/C14H20N2O/c1-12-7-9-16(10-8-12)14(17)15-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17) | Definition date: | 2021-02-09 | Last modified: | 2022-02-18 | Release date: | 2022-02-23 | Identifier: | 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide |
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![TO7 TO7](https://data.pdbj.org/pdbjplus/data/cc/svg/TO7.svg) | TO7 | Name: | (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone | Formula: | C17 H18 N4 O3 S | SMILES: | c4ccc(c(C(c1sc(nc1N)NC3C2CCC(C2)C3)=O)c4)[N+]([O-])=O | InChi: | InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m1/s1 | Synonyms: | MC180295 | Definition date: | 2020-03-25 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone |
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![TOJ TOJ](https://data.pdbj.org/pdbjplus/data/cc/svg/TOJ.svg) | TOJ | Name: | (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone | Formula: | C17 H18 N4 O3 S | SMILES: | c1cc(c(cc1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC4C3CC(CC3)C4)N | InChi: | InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m0/s1 | Definition date: | 2020-03-25 | Last modified: | 2021-08-27 | Release date: | 2021-09-01 | Identifier: | (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone |
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![QHV QHV](https://data.pdbj.org/pdbjplus/data/cc/svg/QHV.svg) | QHV | Name: | (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid | Formula: | C44 H37 Cl N2 O4 S | SMILES: | N(C(C(O)=O)CSCc1ccccc1)C(N(C(c5ccc(c4cc(c3ccccc3c2ccc(Cl)cc2)ccc4)cc5)=O)Cc6ccc(cc6)C)=O | InChi: | InChI=1S/C44H37ClN2O4S/c1-30-14-16-31(17-15-30)27-47(44(51)46-41(43(49)50)29-52-28-32-8-3-2-4-9-32)42(48)35-20-18-33(19-21-35)36-10-7-11-37(26-36)40-13-6-5-12-39(40)34-22-24-38(45)25-23-34/h2-26,41H,27-29H2,1H3,(H,46,51)(H,49,50)/t41-/m0/s1 | Definition date: | 2019-11-04 | Last modified: | 2021-04-30 | Release date: | 2021-05-05 | Identifier: | S-benzyl-N-{(1~4~-chloro[1~1~,2~1~:2~2~,3~1~:3~3~,4~1~-quaterphenyl]-4~4~-carbonyl)[(4-methylphenyl)methyl]carbamoyl}-L-cysteine |
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![5VQ 5VQ](https://data.pdbj.org/pdbjplus/data/cc/svg/5VQ.svg) | 5VQ | Name: | 2-Propen-1-ol | Formula: | C3 H6 O | SMILES: | OCC=C | InChi: | InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2 | Synonyms: | allyl alcohol | Definition date: | 2015-12-11 | Last modified: | 2021-03-01 | Release date: | 2016-04-06 | Identifier: | prop-2-en-1-ol |
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![B40 B40](https://data.pdbj.org/pdbjplus/data/cc/svg/B40.svg) | B40 | Name: | (2S)-N-methyl-1-phenylpropan-2-amine | Formula: | C10 H15 N | SMILES: | N(C(Cc1ccccc1)C)C | InChi: | InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1 | Synonyms: | Methamphetamine | Definition date: | 2009-03-19 | Last modified: | 2021-03-01 | Identifier: | (2S)-N-methyl-1-phenylpropan-2-amine |
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![FC6 FC6](https://data.pdbj.org/pdbjplus/data/cc/svg/FC6.svg) | FC6 | Name: | HEXACYANOFERRATE(3-) | Formula: | C6 Fe N6 | SMILES: | N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N | InChi: | InChI=1S/6CN.Fe/c6*1-2 | Synonyms: | FERRI(III)HEXACYANIDE | Definition date: | 2006-10-19 | Last modified: | 2021-03-01 | Identifier: | hexakis(cyano-kappaC)iron |
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![IPA IPA](https://data.pdbj.org/pdbjplus/data/cc/svg/IPA.svg) | IPA | Name: | ISOPROPYL ALCOHOL | Formula: | C3 H8 O | SMILES: | OC(C)C | InChi: | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 | Synonyms: | 2-PROPANOL | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | propan-2-ol |
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![N7I N7I](https://data.pdbj.org/pdbjplus/data/cc/svg/N7I.svg) | N7I | Name: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol | Formula: | C10 H12 O3 | SMILES: | Oc1ccc(cc1OC)/C=C/CO | InChi: | InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+ | Synonyms: | Coniferyl alcohol | Definition date: | 2010-06-02 | Last modified: | 2021-03-01 | Release date: | 2012-08-24 | Identifier: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol |
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![VOM VOM](https://data.pdbj.org/pdbjplus/data/cc/svg/VOM.svg) | VOM | Name: | 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide | Formula: | C21 H18 F N5 O2 | SMILES: | c1c(c(ccc1F)n2nccc2)C(Oc4c(nc3c(cc(cc3)C(N)=O)c4)N)C | InChi: | InChI=1S/C21H18FN5O2/c1-12(16-11-15(22)4-6-18(16)27-8-2-7-25-27)29-19-10-14-9-13(21(24)28)3-5-17(14)26-20(19)23/h2-12H,1H3,(H2,23,26)(H2,24,28)/t12-/m0/s1 | Definition date: | 2020-08-31 | Last modified: | 2021-01-08 | Release date: | 2021-01-13 | Identifier: | 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide |
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![V8G V8G](https://data.pdbj.org/pdbjplus/data/cc/svg/V8G.svg) | V8G | Name: | trans-4-butylcyclohexane-1-carboxylic acid | Formula: | C11 H20 O2 | SMILES: | C1C(C(=O)O)CCC(C1)CCCC | InChi: | InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10- | Definition date: | 2020-07-16 | Last modified: | 2020-12-25 | Release date: | 2020-12-30 | Identifier: | trans-4-butylcyclohexane-1-carboxylic acid |
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![NPS NPS](https://data.pdbj.org/pdbjplus/data/cc/svg/NPS.svg) | NPS | Name: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | Formula: | C14 H14 O3 | SMILES: | O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C | InChi: | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | Synonyms: | NAPROXEN | Definition date: | 2007-10-04 | Last modified: | 2020-06-17 | Identifier: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
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![TBU TBU](https://data.pdbj.org/pdbjplus/data/cc/svg/TBU.svg) | TBU | Name: | TERTIARY-BUTYL ALCOHOL | Formula: | C4 H10 O | SMILES: | OC(C)(C)C | InChi: | InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 | Synonyms: | 2-METHYL-2-PROPANOL | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 2-methylpropan-2-ol |
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![WRB WRB](https://data.pdbj.org/pdbjplus/data/cc/svg/WRB.svg) | WRB | Name: | 1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE | Formula: | C14 H20 Br N5 O2 | SMILES: | Brc2ccc(OCCCON1C(=NC(=NC1(C)C)N)N)cc2 | InChi: | InChI=1S/C14H20BrN5O2/c1-14(2)19-12(16)18-13(17)20(14)22-9-3-8-21-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H4,16,17,18,19) | Synonyms: | BROMO-WR99210 | Definition date: | 1999-11-29 | Last modified: | 2020-06-17 | Identifier: | 1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine |
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