![W7S W7S](https://data.pdbj.org/pdbjplus/data/cc/svg/W7S.svg) | W7S | Name: | N-benzylpyrazine-2-carboxamide | Formula: | C12 H11 N3 O | SMILES: | c2c(CNC(c1cnccn1)=O)cccc2 | InChi: | InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16) | Definition date: | 2020-09-29 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | N-benzylpyrazine-2-carboxamide |
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![W7V W7V](https://data.pdbj.org/pdbjplus/data/cc/svg/W7V.svg) | W7V | Name: | (1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide | Formula: | C11 H15 N3 O | SMILES: | C1CCC3C1(C(N(C)c2cnnc2)=O)C3 | InChi: | InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1 | Definition date: | 2020-09-29 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide |
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![W7Y W7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/W7Y.svg) | W7Y | Name: | 4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine | Formula: | C14 H18 N4 | SMILES: | c1(ncnc2nccc12)N4C(C3CCC3)CCC4 | InChi: | InChI=1S/C14H18N4/c1-3-10(4-1)12-5-2-8-18(12)14-11-6-7-15-13(11)16-9-17-14/h6-7,9-10,12H,1-5,8H2,(H,15,16,17)/t12-/m1/s1 | Definition date: | 2020-09-29 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
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![W8A W8A](https://data.pdbj.org/pdbjplus/data/cc/svg/W8A.svg) | W8A | Name: | {[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid | Formula: | C8 H12 N2 O4 S | SMILES: | CC(C(N1CCNC1=O)=O)SCC(=O)O | InChi: | InChI=1S/C8H12N2O4S/c1-5(15-4-6(11)12)7(13)10-3-2-9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,11,12)/t5-/m0/s1 | Definition date: | 2020-09-29 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | {[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid |
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![W8D W8D](https://data.pdbj.org/pdbjplus/data/cc/svg/W8D.svg) | W8D | Name: | 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine | Formula: | C10 H13 N5 O | SMILES: | C3(CN2C=NC(=C1N=CN=C12)N)CCCO3 | InChi: | InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h5-7H,1-4,11H2/t7-/m1/s1 | Definition date: | 2020-09-29 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine |
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![W8J W8J](https://data.pdbj.org/pdbjplus/data/cc/svg/W8J.svg) | W8J | Name: | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine | Formula: | C12 H17 N5 O | SMILES: | C(CN2C=NC(=C1N=CN=C12)N)CC3COCC3 | InChi: | InChI=1S/C12H17N5O/c13-11-10-12(15-7-14-10)17(8-16-11)4-1-2-9-3-5-18-6-9/h7-9H,1-6,13H2/t9-/m0/s1 | Definition date: | 2020-09-29 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine |
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![WTA WTA](https://data.pdbj.org/pdbjplus/data/cc/svg/WTA.svg) | WTA | Name: | 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine | Formula: | C12 H18 N5 O7 P | SMILES: | C1(C(C(O)C(COP(O)(=O)OCC)O1)O)n2c3c(nc2)c(N)ncn3 | InChi: | InChI=1S/C12H18N5O7P/c1-2-22-25(20,21)23-3-6-8(18)9(19)12(24-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H,20,21)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | Definition date: | 2020-11-06 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine |
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![L2Z L2Z](https://data.pdbj.org/pdbjplus/data/cc/svg/L2Z.svg) | L2Z | Name: | ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Formula: | C23 H27 N3 O6 S | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CC5(COC5)C4 | InChi: | InChI=1S/C23H27N3O6S/c1-14-20-16(5-3-4-6-18(20)27)21(24-14)22(28)25-17-9-15(7-8-19(17)31-2)33(29,30)26-10-23(11-26)12-32-13-23/h7-9,24H,3-6,10-13H2,1-2H3,(H,25,28) | Definition date: | 2019-07-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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![X2Y X2Y](https://data.pdbj.org/pdbjplus/data/cc/svg/X2Y.svg) | X2Y | Name: | 2,4-di-O-sulfo-alpha-L-fucopyranose | Formula: | C6 H12 O11 S2 | SMILES: | C1(C(C(C(C(O1)O)OS(O)(=O)=O)O)OS(O)(=O)=O)C | InChi: | InChI=1S/C6H12O11S2/c1-2-4(16-18(9,10)11)3(7)5(6(8)15-2)17-19(12,13)14/h2-8H,1H3,(H,9,10,11)(H,12,13,14)/t2-,3+,4+,5-,6+/m0/s1 | Synonyms: | 6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose | Definition date: | 2020-11-23 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose |
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![X34 X34](https://data.pdbj.org/pdbjplus/data/cc/svg/X34.svg) | X34 | Name: | 4-O-sulfo-alpha-L-fucopyranose | Formula: | C6 H12 O8 S | SMILES: | C1(C(OS(O)(=O)=O)C(O)C(O)C(O)O1)C | InChi: | InChI=1S/C6H12O8S/c1-2-5(14-15(10,11)12)3(7)4(8)6(9)13-2/h2-9H,1H3,(H,10,11,12)/t2-,3-,4-,5+,6+/m0/s1 | Synonyms: | 6-deoxy-4-O-sulfo-alpha-L-galactopyranose | Definition date: | 2020-11-23 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 6-deoxy-4-O-sulfo-alpha-L-galactopyranose |
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![X6Y X6Y](https://data.pdbj.org/pdbjplus/data/cc/svg/X6Y.svg) | X6Y | Name: | 2-O-sulfo-alpha-L-fucopyranose | Formula: | C6 H12 O8 S | SMILES: | C1(C)C(O)C(C(C(O1)O)OS(=O)(O)=O)O | InChi: | InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1 | Synonyms: | 6-deoxy-2-O-sulfo-alpha-L-galactopyranose | Definition date: | 2020-12-01 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 6-deoxy-2-O-sulfo-alpha-L-galactopyranose |
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![X7V X7V](https://data.pdbj.org/pdbjplus/data/cc/svg/X7V.svg) | X7V | Name: | N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide | Formula: | C32 H27 N3 O3 | SMILES: | c5(C(N(C(=O)c1ccco1)c3ccc(c2ccccc2)cc3)C(NC(C)c4ccccc4)=O)cnccc5 | InChi: | InChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36)/t23-,30+/m0/s1 | Definition date: | 2020-12-03 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide |
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![XC4 XC4](https://data.pdbj.org/pdbjplus/data/cc/svg/XC4.svg) | XC4 | Name: | 1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole | Formula: | C15 H10 N4 O2 | SMILES: | c2cc1nccc1cc2C(=O)On3c4c(nn3)cccc4 | InChi: | InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H | Definition date: | 2020-12-09 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole |
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![EDF EDF](https://data.pdbj.org/pdbjplus/data/cc/svg/EDF.svg) | EDF | Name: | (3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one | Formula: | C23 H25 N5 O | SMILES: | CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4ccccc4)cc12 | InChi: | InChI=1S/C23H25N5O/c1-15(2)28-16(3)22(29)27(4)20-11-10-18(14-21(20)28)25-23-24-13-12-19(26-23)17-8-6-5-7-9-17/h5-16H,1-4H3,(H,24,25,26)/t16-/m1/s1 | Definition date: | 2019-12-13 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one |
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![EE6 EE6](https://data.pdbj.org/pdbjplus/data/cc/svg/EE6.svg) | EE6 | Name: | 3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one | Formula: | C27 H28 O5 | SMILES: | CC(C)=CCc1cc(ccc1O)C=C2OC(=O)C(=C2O)c3ccc(O)c(CC=C(C)C)c3 | InChi: | InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3 | Definition date: | 2019-12-13 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one |
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![EE9 EE9](https://data.pdbj.org/pdbjplus/data/cc/svg/EE9.svg) | EE9 | Name: | (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one | Formula: | C26 H26 N6 O | SMILES: | CC(C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4cncc5ccccc45)cc12 | InChi: | InChI=1S/C26H26N6O/c1-16(2)32-17(3)25(33)31(4)23-10-9-19(13-24(23)32)29-26-28-12-11-22(30-26)21-15-27-14-18-7-5-6-8-20(18)21/h5-17H,1-4H3,(H,28,29,30)/t17-/m1/s1 | Definition date: | 2019-12-13 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one |
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![EEL EEL](https://data.pdbj.org/pdbjplus/data/cc/svg/EEL.svg) | EEL | Name: | (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid | Formula: | C9 H15 N O3 S2 | SMILES: | OC(=O)[CH]1CCCN1C(=O)C(CS)CS | InChi: | InChI=1S/C9H15NO3S2/c11-8(6(4-14)5-15)10-3-1-2-7(10)9(12)13/h6-7,14-15H,1-5H2,(H,12,13)/t7-/m1/s1 | Definition date: | 2019-12-16 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (2~{R})-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid |
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![EEO EEO](https://data.pdbj.org/pdbjplus/data/cc/svg/EEO.svg) | EEO | Name: | (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid | Formula: | C11 H19 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCCCC[CH]1C(O)=O | InChi: | InChI=1S/C11H19NO3S/c1-8(7-16)10(13)12-6-4-2-3-5-9(12)11(14)15/h8-9,16H,2-7H2,1H3,(H,14,15)/t8-,9-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid |
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![EER EER](https://data.pdbj.org/pdbjplus/data/cc/svg/EER.svg) | EER | Name: | (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid | Formula: | C10 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCCC[CH]1C(O)=O | InChi: | InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-5-3-2-4-8(11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (2~{R})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid |
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![EEX EEX](https://data.pdbj.org/pdbjplus/data/cc/svg/EEX.svg) | EEX | Name: | (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid | Formula: | C14 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O | InChi: | InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)/t9-,12-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (1~{R})-2-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1~{H}-isoquinoline-1-carboxylic acid |
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![EF0 EF0](https://data.pdbj.org/pdbjplus/data/cc/svg/EF0.svg) | EF0 | Name: | 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid | Formula: | C10 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCC(CC1)C(O)=O | InChi: | InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-8(3-5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid |
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![EF9 EF9](https://data.pdbj.org/pdbjplus/data/cc/svg/EF9.svg) | EF9 | Name: | (3S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid | Formula: | C10 H17 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCC[CH](C1)C(O)=O | InChi: | InChI=1S/C10H17NO3S/c1-7(6-15)9(12)11-4-2-3-8(5-11)10(13)14/h7-8,15H,2-6H2,1H3,(H,13,14)/t7-,8+/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | (3~{S})-1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-3-carboxylic acid |
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![EFF EFF](https://data.pdbj.org/pdbjplus/data/cc/svg/EFF.svg) | EFF | Name: | 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide | Formula: | C10 H18 N2 O2 S | SMILES: | C[CH](CS)C(=O)N1CCC(CC1)C(N)=O | InChi: | InChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide |
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![EFR EFR](https://data.pdbj.org/pdbjplus/data/cc/svg/EFR.svg) | EFR | Name: | 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide | Formula: | C11 H20 N2 O2 S | SMILES: | C[CH](CS)C(=O)N1CCC(CC1)CC(N)=O | InChi: | InChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide |
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![EG0 EG0](https://data.pdbj.org/pdbjplus/data/cc/svg/EG0.svg) | EG0 | Name: | 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid | Formula: | C11 H19 N O3 S | SMILES: | C[CH](CS)C(=O)N1CCC(CC1)CC(O)=O | InChi: | InChI=1S/C11H19NO3S/c1-8(7-16)11(15)12-4-2-9(3-5-12)6-10(13)14/h8-9,16H,2-7H2,1H3,(H,13,14)/t8-/m1/s1 | Definition date: | 2019-12-17 | Last modified: | 2020-12-11 | Release date: | 2020-12-16 | Identifier: | 2-[1-[(2~{S})-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanoic acid |
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