![VQK VQK](https://data.pdbj.org/pdbjplus/data/cc/svg/VQK.svg) | VQK | Name: | N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide | Formula: | C24 H18 Cl2 N2 O3 | SMILES: | Clc1cc(OCCc2cccc(NC(=O)C=C)c2)c(Oc2cc(C#N)cc(Cl)c2)cc1 | InChi: | InChI=1S/C24H18Cl2N2O3/c1-2-24(29)28-20-5-3-4-16(11-20)8-9-30-23-14-18(25)6-7-22(23)31-21-12-17(15-27)10-19(26)13-21/h2-7,10-14H,1,8-9H2,(H,28,29) | Definition date: | 2023-09-15 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide |
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![U2X U2X](https://data.pdbj.org/pdbjplus/data/cc/svg/U2X.svg) | U2X | Name: | O-(cyclohexylmethyl)-L-tyrosine | Formula: | C16 H23 N O3 | SMILES: | O=C(O)C(N)Cc2ccc(OCC1CCCCC1)cc2 | InChi: | InChI=1S/C16H23NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11,17H2,(H,18,19)/t15-/m0/s1 | Definition date: | 2012-01-12 | Last modified: | 2023-11-03 | Identifier: | O-(cyclohexylmethyl)-L-tyrosine |
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![X5P X5P](https://data.pdbj.org/pdbjplus/data/cc/svg/X5P.svg) | X5P | Name: | 4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid | Formula: | C7 H11 N O5 | SMILES: | C[CH](NC(=O)CCC(O)=O)C(O)=O | InChi: | InChI=1S/C7H11NO5/c1-4(7(12)13)8-5(9)2-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1 | Definition date: | 2023-05-31 | Last modified: | 2023-11-03 | Release date: | 2023-06-14 | Identifier: | 4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid |
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![05N 05N](https://data.pdbj.org/pdbjplus/data/cc/svg/05N.svg) | 05N | Name: | (3R,4R)-4-hydroxy-3-methyl-L-proline | Formula: | C6 H11 N O3 | SMILES: | O=C(O)C1NCC(O)C1C | InChi: | InChI=1S/C6H11NO3/c1-3-4(8)2-7-5(3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1 | Definition date: | 2012-10-25 | Last modified: | 2023-11-03 | Release date: | 2012-12-21 | Identifier: | (3R,4R)-4-hydroxy-3-methyl-L-proline |
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![S0X S0X](https://data.pdbj.org/pdbjplus/data/cc/svg/S0X.svg) | S0X | Name: | 2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-(cyclopropylmethyl)acetamide | Formula: | C27 H27 Cl N4 O2 | SMILES: | Clc1ccc2CN(CC3(CCN(C3=O)c3cncc4ccccc43)c2c1)CC(=O)NCC1CC1 | InChi: | InChI=1S/C27H27ClN4O2/c28-21-8-7-20-15-31(16-25(33)30-12-18-5-6-18)17-27(23(20)11-21)9-10-32(26(27)34)24-14-29-13-19-3-1-2-4-22(19)24/h1-4,7-8,11,13-14,18H,5-6,9-10,12,15-17H2,(H,30,33)/t27-/m1/s1 | Definition date: | 2023-08-22 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-(cyclopropylmethyl)acetamide |
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![05O 05O](https://data.pdbj.org/pdbjplus/data/cc/svg/05O.svg) | 05O | Name: | (2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal | Formula: | C10 H10 F3 N O3 | SMILES: | FC(F)(F)Oc1ccc(cc1)CC(N)C(=O)O | InChi: | InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1 | Definition date: | 2021-06-02 | Last modified: | 2023-11-03 | Release date: | 2021-09-29 | Identifier: | O-(trifluoromethyl)-L-tyrosine |
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![PM3 PM3](https://data.pdbj.org/pdbjplus/data/cc/svg/PM3.svg) | PM3 | Name: | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID | Formula: | C10 H14 N O5 P | SMILES: | O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O | InChi: | InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1 | Definition date: | 2006-05-03 | Last modified: | 2023-11-03 | Identifier: | 4-(phosphonomethyl)-L-phenylalanine |
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![VQT VQT](https://data.pdbj.org/pdbjplus/data/cc/svg/VQT.svg) | VQT | Name: | (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine | Formula: | C29 H29 Cl F3 N7 O S | SMILES: | FC1CC2(CCCN2C1)COc1nc2c(F)c(c3ccc(F)c4sc(N)nc34)c(Cl)cc2c(n1)N1CC2CCC(N2)C1 | InChi: | InChI=1S/C29H29ClF3N7OS/c30-19-8-18-23(22(33)21(19)17-4-5-20(32)25-24(17)36-27(34)42-25)37-28(38-26(18)39-11-15-2-3-16(12-39)35-15)41-13-29-6-1-7-40(29)10-14(31)9-29/h4-5,8,14-16,35H,1-3,6-7,9-13H2,(H2,34,36)/t14-,15-,16+,29+/m1/s1 | Definition date: | 2023-09-15 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine |
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![Y2Y Y2Y](https://data.pdbj.org/pdbjplus/data/cc/svg/Y2Y.svg) | Y2Y | Name: | (3S,4R)-3-amino-4-hydroxyheptanedioic acid | Formula: | C7 H13 N O5 | SMILES: | NC(CC(O)=O)C(CCC(=O)O)O | InChi: | InChI=1S/C7H13NO5/c8-4(3-7(12)13)5(9)1-2-6(10)11/h4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1 | Definition date: | 2020-06-02 | Last modified: | 2023-11-03 | Release date: | 2021-06-02 | Identifier: | (3S,4R)-3-amino-4-hydroxyheptanedioic acid |
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![NJE NJE](https://data.pdbj.org/pdbjplus/data/cc/svg/NJE.svg) | NJE | Name: | N-(4-methylpyridin-3-yl)-2-(piperidin-1-yl)acetamide | Formula: | C13 H19 N3 O | SMILES: | O=C(CN1CCCCC1)Nc1cnccc1C | InChi: | InChI=1S/C13H19N3O/c1-11-5-6-14-9-12(11)15-13(17)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,17) | Definition date: | 2023-08-16 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-(4-methylpyridin-3-yl)-2-(piperidin-1-yl)acetamide |
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![05W 05W](https://data.pdbj.org/pdbjplus/data/cc/svg/05W.svg) | 05W | Name: | (2R,3S,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol | Formula: | C9 H21 N O2 | SMILES: | CC(C)C[CH](N)[CH](O)[CH](C)CO | InChi: | InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9+/m1/s1 | Definition date: | 2012-12-10 | Last modified: | 2023-11-03 | Release date: | 2014-02-12 | Identifier: | (2R,3S,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol |
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![X60 X60](https://data.pdbj.org/pdbjplus/data/cc/svg/X60.svg) | X60 | Name: | 2-ethyl-L-norvaline | Formula: | C7 H15 N O2 | SMILES: | CCCC(N)(CC)C(=O)O | InChi: | InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1 | Definition date: | 2023-06-02 | Last modified: | 2023-11-03 | Release date: | 2023-08-16 | Identifier: | 2-ethyl-L-norvaline |
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![TA4 TA4](https://data.pdbj.org/pdbjplus/data/cc/svg/TA4.svg) | TA4 | Name: | (S)-2-[4-(AMINOMETHYL)-1H-1,2,3-TRIAZOL-1-YL]-4-METHYLPENTANOIC ACID | Formula: | C9 H16 N4 O2 | SMILES: | O=C(O)C(n1nnc(c1)CN)CC(C)C | InChi: | InChI=1S/C9H16N4O2/c1-6(2)3-8(9(14)15)13-5-7(4-10)11-12-13/h5-6,8H,3-4,10H2,1-2H3,(H,14,15)/t8-/m0/s1 | Definition date: | 2004-08-13 | Last modified: | 2023-11-03 | Identifier: | (2S)-2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-4-methylpentanoic acid |
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![ODA ODA](https://data.pdbj.org/pdbjplus/data/cc/svg/ODA.svg) | ODA | Name: | 9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID | Formula: | C10 H15 N3 O4 | SMILES: | O=C(O)C2N1C(=O)C(N)CCC(=O)N1CCC2 | InChi: | InChI=1S/C10H15N3O4/c11-6-3-4-8(14)12-5-1-2-7(10(16)17)13(12)9(6)15/h6-7H,1-5,11H2,(H,16,17)/t6-,7-/m0/s1 | Definition date: | 1999-10-14 | Last modified: | 2023-11-03 | Identifier: | (1S,9S)-9-amino-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid |
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![TOQ TOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/TOQ.svg) | TOQ | Name: | 6,7-dihydroxy-L-tryptophan | Formula: | C11 H12 N2 O4 | SMILES: | O=C(O)C(N)Cc2c1ccc(O)c(O)c1nc2 | InChi: | InChI=1S/C11H12N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13-15H,3,12H2,(H,16,17)/t7-/m0/s1 | Definition date: | 2011-07-22 | Last modified: | 2023-11-03 | Identifier: | 6,7-dihydroxy-L-tryptophan |
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![060 060](https://data.pdbj.org/pdbjplus/data/cc/svg/060.svg) | 060 | Name: | S-methyl-D-cysteine | Formula: | C4 H9 N O2 S | SMILES: | O=C(O)C(N)CSC | InChi: | InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 | Definition date: | 2013-01-25 | Last modified: | 2023-11-03 | Release date: | 2013-03-20 | Identifier: | S-methyl-D-cysteine |
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![UIA UIA](https://data.pdbj.org/pdbjplus/data/cc/svg/UIA.svg) | UIA | Name: | [(2~{R})-1-azanylpropan-2-yl]carbamic acid | Formula: | C4 H10 N2 O2 | SMILES: | C[CH](CN)NC(O)=O | InChi: | InChI=1S/C4H10N2O2/c1-3(2-5)6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m1/s1 | Definition date: | 2019-10-12 | Last modified: | 2023-11-03 | Release date: | 2021-02-17 | Identifier: | [(2~{R})-1-azanylpropan-2-yl]carbamic acid |
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![VR0 VR0](https://data.pdbj.org/pdbjplus/data/cc/svg/VR0.svg) | VR0 | Name: | N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine | Formula: | C8 H17 N5 O3 | SMILES: | O=C(O)C(N)CCCNC(=[N@H])NC(=O)NC | InChi: | InChI=1S/C8H17N5O3/c1-11-8(16)13-7(10)12-4-2-3-5(9)6(14)15/h5H,2-4,9H2,1H3,(H,14,15)(H4,10,11,12,13,16)/t5-/m0/s1 | Definition date: | 2010-11-01 | Last modified: | 2023-11-03 | Identifier: | N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine |
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![Z3E Z3E](https://data.pdbj.org/pdbjplus/data/cc/svg/Z3E.svg) | Z3E | Name: | O-benzyl-L-threonine | Formula: | C11 H15 N O3 | SMILES: | O=C(O)C(N)C(OCc1ccccc1)C | InChi: | InChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1 | Definition date: | 2010-10-27 | Last modified: | 2023-11-03 | Identifier: | O-benzyl-L-threonine |
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![KAC KAC](https://data.pdbj.org/pdbjplus/data/cc/svg/KAC.svg) | KAC | Name: | 4-(benzoylamino)butanoic acid | Formula: | C11 H13 N O3 | SMILES: | O=C(NCCCC(=O)O)c1ccccc1 | InChi: | InChI=1S/C11H13NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14) | Definition date: | 2014-10-07 | Last modified: | 2023-11-03 | Release date: | 2014-12-03 | Identifier: | 4-(benzoylamino)butanoic acid |
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![TOX TOX](https://data.pdbj.org/pdbjplus/data/cc/svg/TOX.svg) | TOX | Name: | 1-hydroperoxy-L-tryptophan | Formula: | C11 H12 N2 O4 | SMILES: | O=C(O)C(N)Cc2c1ccccc1n(OO)c2 | InChi: | InChI=1S/C11H12N2O4/c12-9(11(14)15)5-7-6-13(17-16)10-4-2-1-3-8(7)10/h1-4,6,9,16H,5,12H2,(H,14,15)/t9-/m0/s1 | Definition date: | 2006-08-21 | Last modified: | 2023-11-03 | Identifier: | 1-hydroperoxy-L-tryptophan |
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![WPA WPA](https://data.pdbj.org/pdbjplus/data/cc/svg/WPA.svg) | WPA | Name: | (betaR)-beta-methoxy-L-phenylalanine | Formula: | C10 H13 N O3 | SMILES: | O=C(O)C(N)C(OC)c1ccccc1 | InChi: | InChI=1S/C10H13NO3/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,11H2,1H3,(H,12,13)/t8-,9+/m0/s1 | Definition date: | 2013-06-18 | Last modified: | 2023-11-03 | Release date: | 2013-09-18 | Identifier: | (betaR)-beta-methoxy-L-phenylalanine |
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![VR5 VR5](https://data.pdbj.org/pdbjplus/data/cc/svg/VR5.svg) | VR5 | Name: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile | Formula: | C32 H29 F6 N7 O S | SMILES: | FC(F)(F)c1cc2c(nc(OCC34CCCN4CC(F)C3)nc2c(F)c1c1ccc(F)c2sc(N)c(C#N)c12)N1CC2CCC(N2)C1 | InChi: | InChI=1S/C32H29F6N7OS/c33-15-9-31(6-1-7-45(31)11-15)14-46-30-42-26-19(29(43-30)44-12-16-2-3-17(13-44)41-16)8-21(32(36,37)38)24(25(26)35)18-4-5-22(34)27-23(18)20(10-39)28(40)47-27/h4-5,8,15-17,41H,1-3,6-7,9,11-14,40H2/t15-,16-,17+,31+/m1/s1 | Definition date: | 2023-09-15 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile |
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![TOZ TOZ](https://data.pdbj.org/pdbjplus/data/cc/svg/TOZ.svg) | TOZ | Name: | 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid | Formula: | C8 H7 N3 O3 S | SMILES: | NCc1scc(n1)c2occ(n2)C(O)=O | InChi: | InChI=1S/C8H7N3O3S/c9-1-6-10-5(3-15-6)7-11-4(2-14-7)8(12)13/h2-3H,1,9H2,(H,12,13) | Definition date: | 2018-06-04 | Last modified: | 2023-11-03 | Release date: | 2019-01-30 | Identifier: | 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid |
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![P7R P7R](https://data.pdbj.org/pdbjplus/data/cc/svg/P7R.svg) | P7R | Name: | (4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C17 H15 Cl N4 O3 | SMILES: | CN1c2c(NC1=O)cncc2NC(=O)C1CCOc2ccc(Cl)cc21 | InChi: | InChI=1S/C17H15ClN4O3/c1-22-15-12(7-19-8-13(15)21-17(22)24)20-16(23)10-4-5-25-14-3-2-9(18)6-11(10)14/h2-3,6-8,10H,4-5H2,1H3,(H,20,23)(H,21,24)/t10-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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