![4KW 4KW](https://data.pdbj.org/pdbjplus/data/cc/svg/4KW.svg) | 4KW | Name: | 1-monoenoyl-CoA | Formula: | C28 H44 N7 O17 P3 S | SMILES: | OC(C(NCCC(NCCSC(C1=CCCCC1)=O)=O)=O)C(C)(C)COP(O)(=O)OP(O)(OCC4OC(n2c3c(nc2)c(N)ncn3)C(C4OP(=O)(O)O)O)=O | InChi: | InChI=1S/C28H44N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h6,14-15,17,20-22,26,37-38H,3-5,7-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1 | Synonyms: | Cyclohex-1-ene-1-carbonyl-CoA | Definition date: | 2015-04-01 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | S-{(3R,5R,9R)-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-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} cyclohex-1-ene-1-carbothioate (non-preferred name) |
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![R0A R0A](https://data.pdbj.org/pdbjplus/data/cc/svg/R0A.svg) | R0A | Name: | [(6S)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid | Formula: | C19 H19 F N4 O3 | SMILES: | Fc1ccc2c3c([NH]c2c1)ncnc3N1CC2(CCC2)OC(C1)CC(=O)O | InChi: | InChI=1S/C19H19FN4O3/c20-11-2-3-13-14(6-11)23-17-16(13)18(22-10-21-17)24-8-12(7-15(25)26)27-19(9-24)4-1-5-19/h2-3,6,10,12H,1,4-5,7-9H2,(H,25,26)(H,21,22,23)/t12-/m0/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | [(6S)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid |
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![RSR RSR](https://data.pdbj.org/pdbjplus/data/cc/svg/RSR.svg) | RSR | Name: | (8R)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid | Formula: | C18 H17 F2 N5 O2 | SMILES: | O=C(O)C1(F)CN(CC21CCC2)c1nc(N)nc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C18H17F2N5O2/c19-9-2-3-10-11(6-9)22-13-12(10)14(24-16(21)23-13)25-7-17(4-1-5-17)18(20,8-25)15(26)27/h2-3,6H,1,4-5,7-8H2,(H,26,27)(H3,21,22,23,24)/t18-/m1/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (8R)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid |
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![R0H R0H](https://data.pdbj.org/pdbjplus/data/cc/svg/R0H.svg) | R0H | Name: | methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate | Formula: | C17 H17 F N4 O3 | SMILES: | O=C(OC)C1(CCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12)CO | InChi: | InChI=1S/C17H17FN4O3/c1-25-16(24)17(8-23)4-5-22(7-17)15-13-11-3-2-10(18)6-12(11)21-14(13)19-9-20-15/h2-3,6,9,23H,4-5,7-8H2,1H3,(H,19,20,21)/t17-/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate |
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![QM6 QM6](https://data.pdbj.org/pdbjplus/data/cc/svg/QM6.svg) | QM6 | Name: | 3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzofuran-2-carboxylic acid | Formula: | C21 H19 N3 O5 | SMILES: | O=C(NC1CC1)Nc1ccc(cc1)C(=O)NCc1c2ccccc2oc1C(=O)O | InChi: | InChI=1S/C21H19N3O5/c25-19(12-5-7-13(8-6-12)23-21(28)24-14-9-10-14)22-11-16-15-3-1-2-4-17(15)29-18(16)20(26)27/h1-8,14H,9-11H2,(H,22,25)(H,26,27)(H2,23,24,28) | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | 3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzofuran-2-carboxylic acid |
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![R0L R0L](https://data.pdbj.org/pdbjplus/data/cc/svg/R0L.svg) | R0L | Name: | (2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid | Formula: | C15 H13 F N4 O3 | SMILES: | O=C(O)C1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C15H13FN4O3/c16-8-1-2-9-10(5-8)19-13-12(9)14(18-7-17-13)20-3-4-23-11(6-20)15(21)22/h1-2,5,7,11H,3-4,6H2,(H,21,22)(H,17,18,19)/t11-/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid |
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![R0R R0R](https://data.pdbj.org/pdbjplus/data/cc/svg/R0R.svg) | R0R | Name: | (8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid | Formula: | C17 H14 F2 N4 O3 | SMILES: | O=C(O)C1(F)CN(CC21COC2)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C17H14F2N4O3/c18-9-1-2-10-11(3-9)22-13-12(10)14(21-8-20-13)23-4-16(6-26-7-16)17(19,5-23)15(24)25/h1-3,8H,4-7H2,(H,24,25)(H,20,21,22)/t17-/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid |
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![RT5 RT5](https://data.pdbj.org/pdbjplus/data/cc/svg/RT5.svg) | RT5 | Name: | (8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid | Formula: | C18 H17 F2 N5 O2 | SMILES: | O=C(O)C1(F)CN(CC21CCC2)c1nc(N)nc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C18H17F2N5O2/c19-9-2-3-10-11(6-9)22-13-12(10)14(24-16(21)23-13)25-7-17(4-1-5-17)18(20,8-25)15(26)27/h2-3,6H,1,4-5,7-8H2,(H,26,27)(H3,21,22,23,24)/t18-/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid |
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![QMF QMF](https://data.pdbj.org/pdbjplus/data/cc/svg/QMF.svg) | QMF | Name: | 3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzothiophene-2-carboxylic acid | Formula: | C21 H19 N3 O4 S | SMILES: | O=C(NC1CC1)Nc1ccc(cc1)C(=O)NCc1c2ccccc2sc1C(=O)O | InChi: | InChI=1S/C21H19N3O4S/c25-19(12-5-7-13(8-6-12)23-21(28)24-14-9-10-14)22-11-16-15-3-1-2-4-17(15)29-18(16)20(26)27/h1-8,14H,9-11H2,(H,22,25)(H,26,27)(H2,23,24,28) | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | 3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzothiophene-2-carboxylic acid |
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![R0W R0W](https://data.pdbj.org/pdbjplus/data/cc/svg/R0W.svg) | R0W | Name: | (8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid | Formula: | C17 H14 F2 N4 O3 | SMILES: | O=C(O)C1(F)CN(CC21COC2)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C17H14F2N4O3/c18-9-1-2-10-11(3-9)22-13-12(10)14(21-8-20-13)23-4-16(6-26-7-16)17(19,5-23)15(24)25/h1-3,8H,4-7H2,(H,24,25)(H,20,21,22)/t17-/m0/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid |
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![YQS YQS](https://data.pdbj.org/pdbjplus/data/cc/svg/YQS.svg) | YQS | Name: | [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C10 H17 N2 O13 P3 S | SMILES: | CC1=CN([CH]2C[CH](O)[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O | InChi: | InChI=1S/C10H17N2O13P3S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(23-8)4-22-28(21,29)25-27(19,20)24-26(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,29)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+,28-/m0/s1 | Definition date: | 2021-03-23 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate |
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![QMO QMO](https://data.pdbj.org/pdbjplus/data/cc/svg/QMO.svg) | QMO | Name: | (1R,2R)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C21 H23 N3 O5 | SMILES: | CC(C)NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | InChi: | InChI=1S/C21H23N3O5/c1-11(2)22-21(29)23-13-8-6-12(7-9-13)19(26)24-18-14-4-3-5-17(25)15(14)10-16(18)20(27)28/h3-9,11,16,18,25H,10H2,1-2H3,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18+/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1R,2R)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
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![RF0 RF0](https://data.pdbj.org/pdbjplus/data/cc/svg/RF0.svg) | RF0 | Name: | [(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol | Formula: | C16 H17 F N4 O3 | SMILES: | COC1CN(CC(CO)O1)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C16H17FN4O3/c1-23-13-6-21(5-10(7-22)24-13)16-14-11-3-2-9(17)4-12(11)20-15(14)18-8-19-16/h2-4,8,10,13,22H,5-7H2,1H3,(H,18,19,20)/t10-,13-/m0/s1 | Definition date: | 2022-06-22 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | [(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol |
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![RTI RTI](https://data.pdbj.org/pdbjplus/data/cc/svg/RTI.svg) | RTI | Name: | (1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C19 H16 N2 O4 | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2cc[NH]c2cc1 | InChi: | InChI=1S/C19H16N2O4/c22-16-3-1-2-12-13(16)9-14(19(24)25)17(12)21-18(23)11-4-5-15-10(8-11)6-7-20-15/h1-8,14,17,20,22H,9H2,(H,21,23)(H,24,25)/t14-,17+/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
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![QN0 QN0](https://data.pdbj.org/pdbjplus/data/cc/svg/QN0.svg) | QN0 | Name: | (1S,2S)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C21 H23 N3 O5 | SMILES: | CC(C)NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | InChi: | InChI=1S/C21H23N3O5/c1-11(2)22-21(29)23-13-8-6-12(7-9-13)19(26)24-18-14-4-3-5-17(25)15(14)10-16(18)20(27)28/h3-9,11,16,18,25H,10H2,1-2H3,(H,24,26)(H,27,28)(H2,22,23,29)/t16-,18+/m0/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1S,2S)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
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![RTU RTU](https://data.pdbj.org/pdbjplus/data/cc/svg/RTU.svg) | RTU | Name: | (1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C19 H16 N2 O4 | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2cc[NH]c2cc1 | InChi: | InChI=1S/C19H16N2O4/c22-16-3-1-2-12-13(16)9-14(19(24)25)17(12)21-18(23)11-4-5-15-10(8-11)6-7-20-15/h1-8,14,17,20,22H,9H2,(H,21,23)(H,24,25)/t14-,17+/m1/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
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![RFI RFI](https://data.pdbj.org/pdbjplus/data/cc/svg/RFI.svg) | RFI | Name: | 3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one | Formula: | C17 H16 F N5 O2 | SMILES: | Fc1ccc2c3c([NH]c2c1)ncnc3N1CCC(C1)N1CCOC1=O | InChi: | InChI=1S/C17H16FN5O2/c18-10-1-2-12-13(7-10)21-15-14(12)16(20-9-19-15)22-4-3-11(8-22)23-5-6-25-17(23)24/h1-2,7,9,11H,3-6,8H2,(H,19,20,21)/t11-/m0/s1 | Definition date: | 2022-06-22 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | 3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one |
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![QNF QNF](https://data.pdbj.org/pdbjplus/data/cc/svg/QNF.svg) | QNF | Name: | (1R,2R)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C19 H16 N2 O6 | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc2NC(=O)COc2c1 | InChi: | InChI=1S/C19H16N2O6/c22-14-3-1-2-10-11(14)7-12(19(25)26)17(10)21-18(24)9-4-5-13-15(6-9)27-8-16(23)20-13/h1-6,12,17,22H,7-8H2,(H,20,23)(H,21,24)(H,25,26)/t12-,17+/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1R,2R)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
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![RFU RFU](https://data.pdbj.org/pdbjplus/data/cc/svg/RFU.svg) | RFU | Name: | 3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one | Formula: | C17 H16 F N5 O2 | SMILES: | Fc1ccc2c3c([NH]c2c1)ncnc3N1CCC(C1)N1CCOC1=O | InChi: | InChI=1S/C17H16FN5O2/c18-10-1-2-12-13(7-10)21-15-14(12)16(20-9-19-15)22-4-3-11(8-22)23-5-6-25-17(23)24/h1-2,7,9,11H,3-6,8H2,(H,19,20,21)/t11-/m1/s1 | Definition date: | 2022-06-22 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | 3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one |
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![RG5 RG5](https://data.pdbj.org/pdbjplus/data/cc/svg/RG5.svg) | RG5 | Name: | 7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole | Formula: | C15 H13 F N8 O | SMILES: | Fc1ccc2c3c(ncnc3[NH]c2c1)N1CC(OCC1)c1nnn[NH]1 | InChi: | InChI=1S/C15H13FN8O/c16-8-1-2-9-10(5-8)19-14-12(9)15(18-7-17-14)24-3-4-25-11(6-24)13-20-22-23-21-13/h1-2,5,7,11H,3-4,6H2,(H,17,18,19)(H,20,21,22,23)/t11-/m1/s1 | Definition date: | 2022-06-22 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | 7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole |
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![S9U S9U](https://data.pdbj.org/pdbjplus/data/cc/svg/S9U.svg) | S9U | Name: | [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Formula: | C25 H44 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O | InChi: | InChI=1S/C25H43N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h15-21,24,31H,3-14H2,1-2H3,(H4-,26,27,28,29,30,32,33,34,35)/p+1/t17-,18+,19-,20-,21-,24-/m0/s1 | Definition date: | 2022-06-29 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate |
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![QNV QNV](https://data.pdbj.org/pdbjplus/data/cc/svg/QNV.svg) | QNV | Name: | (1S,2S)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C19 H16 N2 O6 | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc2NC(=O)COc2c1 | InChi: | InChI=1S/C19H16N2O6/c22-14-3-1-2-10-11(14)7-12(19(25)26)17(10)21-18(24)9-4-5-13-15(6-9)27-8-16(23)20-13/h1-6,12,17,22H,7-8H2,(H,20,23)(H,21,24)(H,25,26)/t12-,17+/m0/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1S,2S)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
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![RGF RGF](https://data.pdbj.org/pdbjplus/data/cc/svg/RGF.svg) | RGF | Name: | (8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid | Formula: | C18 H17 F N4 O2 | SMILES: | O=C(O)C1CN(CC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C18H17FN4O2/c19-10-2-3-11-13(6-10)22-15-14(11)16(21-9-20-15)23-7-12(17(24)25)18(8-23)4-1-5-18/h2-3,6,9,12H,1,4-5,7-8H2,(H,24,25)(H,20,21,22)/t12-/m0/s1 | Definition date: | 2022-06-22 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid |
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![5M5 5M5](https://data.pdbj.org/pdbjplus/data/cc/svg/5M5.svg) | 5M5 | Name: | (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile | Formula: | C24 H24 N4 O2 | SMILES: | CC(C)[C]1(c2cc(CO)cc(c2)c3ccccc3)C(=C(N)Oc4[nH]nc(C)c14)C#N | InChi: | InChI=1S/C24H24N4O2/c1-14(2)24(20(12-25)22(26)30-23-21(24)15(3)27-28-23)19-10-16(13-29)9-18(11-19)17-7-5-4-6-8-17/h4-11,14,29H,13,26H2,1-3H3,(H,27,28)/t24-/m0/s1 | Definition date: | 2021-08-19 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (4~{R})-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile |
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![QO3 QO3](https://data.pdbj.org/pdbjplus/data/cc/svg/QO3.svg) | QO3 | Name: | (1R,2R)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C20 H21 N3 O4 | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cnc(NCC2CC2)cc1 | InChi: | InChI=1S/C20H21N3O4/c24-16-3-1-2-13-14(16)8-15(20(26)27)18(13)23-19(25)12-6-7-17(22-10-12)21-9-11-4-5-11/h1-3,6-7,10-11,15,18,24H,4-5,8-9H2,(H,21,22)(H,23,25)(H,26,27)/t15-,18+/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (1R,2R)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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