![7YQ 7YQ](https://data.pdbj.org/pdbjplus/data/cc/svg/7YQ.svg) | 7YQ | Name: | O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | Formula: | C32 H49 Cl N4 O7 | SMILES: | CC(C)(C)OC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C32H49ClN4O7/c1-20(44-32(2,3)4)27(37-31(42)43-19-22-11-8-12-24(33)15-22)30(41)36-26(16-21-9-6-5-7-10-21)29(40)35-25(18-38)17-23-13-14-34-28(23)39/h8,11-12,15,20-21,23,25-27,38H,5-7,9-10,13-14,16-19H2,1-4H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t20-,23+,25+,26+,27+/m1/s1 | Definition date: | 2021-08-23 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide |
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![7YW 7YW](https://data.pdbj.org/pdbjplus/data/cc/svg/7YW.svg) | 7YW | Name: | O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Formula: | C29 H45 Cl N4 O7 | SMILES: | CC(C)(C)OC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C29H45ClN4O7/c1-17(2)12-23(26(37)32-22(15-35)14-20-10-11-31-25(20)36)33-27(38)24(18(3)41-29(4,5)6)34-28(39)40-16-19-8-7-9-21(30)13-19/h7-9,13,17-18,20,22-24,35H,10-12,14-16H2,1-6H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t18-,20+,22+,23+,24+/m1/s1 | Definition date: | 2021-08-23 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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![7YZ 7YZ](https://data.pdbj.org/pdbjplus/data/cc/svg/7YZ.svg) | 7YZ | Name: | N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | Formula: | C29 H43 Cl N4 O6 | SMILES: | CC(C)C(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C29H43ClN4O6/c1-18(2)25(34-29(39)40-17-20-9-6-10-22(30)13-20)28(38)33-24(14-19-7-4-3-5-8-19)27(37)32-23(16-35)15-21-11-12-31-26(21)36/h6,9-10,13,18-19,21,23-25,35H,3-5,7-8,11-12,14-17H2,1-2H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t21-,23-,24-,25-/m0/s1 | Definition date: | 2021-08-23 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide |
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![800 800](https://data.pdbj.org/pdbjplus/data/cc/svg/800.svg) | 800 | Name: | N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Formula: | C27 H39 N5 O5 | SMILES: | CC(C)C(NC(=O)c1cc2ccccc2[NH]1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C27H39N5O5/c1-15(2)11-21(25(35)29-19(14-33)12-18-9-10-28-24(18)34)31-27(37)23(16(3)4)32-26(36)22-13-17-7-5-6-8-20(17)30-22/h5-8,13,15-16,18-19,21,23,30,33H,9-12,14H2,1-4H3,(H,28,34)(H,29,35)(H,31,37)(H,32,36)/t18-,19-,21-,23-/m0/s1 | Definition date: | 2021-08-24 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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![81L 81L](https://data.pdbj.org/pdbjplus/data/cc/svg/81L.svg) | 81L | Name: | N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide | Formula: | C27 H40 N4 O6 | SMILES: | CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C27H40N4O6/c1-27(2,3)22(31-26(36)37-16-18-7-5-4-6-8-18)25(35)30-21(13-17-9-10-17)24(34)29-20(15-32)14-19-11-12-28-23(19)33/h4-8,17,19-22,32H,9-16H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,31,36)/t19-,20-,21-,22+/m0/s1 | Definition date: | 2021-08-31 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide |
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![24N 24N](https://data.pdbj.org/pdbjplus/data/cc/svg/24N.svg) | 24N | Name: | 1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one | Formula: | C23 H25 F2 N9 O | SMILES: | CCC(=O)N1CCC[CH](C1)n2nc(c3cn(CC(F)(F)c4ccccc4)nn3)c5c(N)ncnc25 | InChi: | InChI=1S/C23H25F2N9O/c1-2-18(35)32-10-6-9-16(11-32)34-22-19(21(26)27-14-28-22)20(30-34)17-12-33(31-29-17)13-23(24,25)15-7-4-3-5-8-15/h3-5,7-8,12,14,16H,2,6,9-11,13H2,1H3,(H2,26,27,28)/t16-/m1/s1 | Definition date: | 2021-06-15 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | 1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one |
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![86I 86I](https://data.pdbj.org/pdbjplus/data/cc/svg/86I.svg) | 86I | Name: | 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole | Formula: | C25 H22 N8 S | SMILES: | CCCc1nc2n(Cc3ccc4nc(sc4c3)c5ccccc5c6[nH]nnn6)ccc(C)c2n1 | InChi: | InChI=1S/C25H22N8S/c1-3-6-21-27-22-15(2)11-12-33(24(22)28-21)14-16-9-10-19-20(13-16)34-25(26-19)18-8-5-4-7-17(18)23-29-31-32-30-23/h4-5,7-13H,3,6,14H2,1-2H3,(H,29,30,31,32) | Definition date: | 2022-03-03 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole |
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![8K3 8K3](https://data.pdbj.org/pdbjplus/data/cc/svg/8K3.svg) | 8K3 | Name: | 3-(2-azanylethyl)-1H-indole-5-carboxamide | Formula: | C11 H13 N3 O | SMILES: | NCCc1c[nH]c2ccc(cc12)C(N)=O | InChi: | InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15) | Definition date: | 2022-03-08 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | 3-(2-azanylethyl)-1~{H}-indole-5-carboxamide |
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![O50 O50](https://data.pdbj.org/pdbjplus/data/cc/svg/O50.svg) | O50 | Name: | 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide | Formula: | C23 H20 N6 O | SMILES: | O=C(Nc1ccc(cn1)c1cnccn1)Cc1cc(C)c(nc1)c1ccnc(C)c1 | InChi: | InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30) | Definition date: | 2022-04-22 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide |
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![QFC QFC](https://data.pdbj.org/pdbjplus/data/cc/svg/QFC.svg) | QFC | Name: | Mezigdomide | Formula: | C32 H30 F N5 O4 | SMILES: | O=C1NC(=O)CCC1N1Cc2c(cccc2OCc2ccc(cc2)CN2CCN(CC2)c2ccc(C#N)cc2F)C1=O | InChi: | InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1 | Definition date: | 2022-06-08 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | 4-[4-({4-[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}oxy)methyl]phenyl}methyl)piperazin-1-yl]-3-fluorobenzonitrile |
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![IQT IQT](https://data.pdbj.org/pdbjplus/data/cc/svg/IQT.svg) | IQT | Name: | Korormicin | Formula: | C25 H39 N O5 | SMILES: | CCCCCCCC[CH]1O[CH]1CC=CC=C[CH](O)CC(=O)NC2=C[C](C)(CC)OC2=O | InChi: | InChI=1S/C25H39NO5/c1-4-6-7-8-9-12-15-21-22(30-21)16-13-10-11-14-19(27)17-23(28)26-20-18-25(3,5-2)31-24(20)29/h10-11,13-14,18-19,21-22,27H,4-9,12,15-17H2,1-3H3,(H,26,28)/b13-10+,14-11?/t19-,21+,22-,25-/m0/s1 | Definition date: | 2022-07-11 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | (3~{R})-~{N}-[(5~{S})-5-ethyl-5-methyl-2-oxidanylidene-furan-3-yl]-8-[(2~{S},3~{R})-3-octyloxiran-2-yl]-3-oxidanyl-octa-4,6-dienamide |
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![RXI RXI](https://data.pdbj.org/pdbjplus/data/cc/svg/RXI.svg) | RXI | Name: | (6~{S})-7-[4-(cyclopropylcarbamoylamino)phenyl]carbonyl-3-methyl-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid | Formula: | C18 H20 N6 O4 | SMILES: | O=C(NC1CC1)Nc1ccc(cc1)C(=O)N1Cc2nnc(C)n2CC1C(=O)O | InChi: | InChI=1S/C18H20N6O4/c1-10-21-22-15-9-24(14(17(26)27)8-23(10)15)16(25)11-2-4-12(5-3-11)19-18(28)20-13-6-7-13/h2-5,13-14H,6-9H2,1H3,(H,26,27)(H2,19,20,28)/t14-/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-11 | Release date: | 2022-07-13 | Identifier: | (4S,6S)-7-[4-(cyclopropylcarbamamido)benzoyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid |
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![RXX RXX](https://data.pdbj.org/pdbjplus/data/cc/svg/RXX.svg) | RXX | Name: | 9-{[(2P)-2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}-9H-purine-2,6-diamine | Formula: | C14 H13 N7 O S | SMILES: | Nc1nc(N)nc2c1ncn2Cc1csc(n1)c1oc(C)cc1 | InChi: | InChI=1S/C14H13N7OS/c1-7-2-3-9(22-7)13-18-8(5-23-13)4-21-6-17-10-11(15)19-14(16)20-12(10)21/h2-3,5-6H,4H2,1H3,(H4,15,16,19,20) | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 9-{[(2P)-2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}-9H-purine-2,6-diamine |
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![RY6 RY6](https://data.pdbj.org/pdbjplus/data/cc/svg/RY6.svg) | RY6 | Name: | (1S,2S)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C18 H17 N3 O5 | SMILES: | NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | InChi: | InChI=1S/C18H17N3O5/c19-18(26)20-10-6-4-9(5-7-10)16(23)21-15-11-2-1-3-14(22)12(11)8-13(15)17(24)25/h1-7,13,15,22H,8H2,(H,21,23)(H,24,25)(H3,19,20,26)/t13-,15+/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (1S,2S)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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![RYC RYC](https://data.pdbj.org/pdbjplus/data/cc/svg/RYC.svg) | RYC | Name: | (1R,2R)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C18 H17 N3 O5 | SMILES: | NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | InChi: | InChI=1S/C18H17N3O5/c19-18(26)20-10-6-4-9(5-7-10)16(23)21-15-11-2-1-3-14(22)12(11)8-13(15)17(24)25/h1-7,13,15,22H,8H2,(H,21,23)(H,24,25)(H3,19,20,26)/t13-,15+/m1/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (1R,2R)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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![RYI RYI](https://data.pdbj.org/pdbjplus/data/cc/svg/RYI.svg) | RYI | Name: | (5R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2lambda~6~-thia-7-azaspiro[4.5]decane-2,2-dione | Formula: | C14 H18 N4 O2 S | SMILES: | O=S1(=O)CCC2(CCCN(C2)c2ncnc3[NH]ccc32)C1 | InChi: | InChI=1S/C14H18N4O2S/c19-21(20)7-4-14(9-21)3-1-6-18(8-14)13-11-2-5-15-12(11)16-10-17-13/h2,5,10H,1,3-4,6-9H2,(H,15,16,17)/t14-/m1/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (5R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2lambda~6~-thia-7-azaspiro[4.5]decane-2,2-dione |
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![RZ9 RZ9](https://data.pdbj.org/pdbjplus/data/cc/svg/RZ9.svg) | RZ9 | Name: | 5-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one | Formula: | C13 H14 N6 O2 | SMILES: | O=C1NN=C(O1)C1CN(CCC1)c1ncnc2[NH]ccc21 | InChi: | InChI=1S/C13H14N6O2/c20-13-18-17-12(21-13)8-2-1-5-19(6-8)11-9-3-4-14-10(9)15-7-16-11/h3-4,7-8H,1-2,5-6H2,(H,18,20)(H,14,15,16)/t8-/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 5-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one |
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![RZR RZR](https://data.pdbj.org/pdbjplus/data/cc/svg/RZR.svg) | RZR | Name: | (1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C19 H19 N3 O4 | SMILES: | CNC(=O)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O | InChi: | InChI=1S/C19H19N3O4/c1-20-19(26)21-13-8-6-11(7-9-13)17(23)22-16-14-5-3-2-4-12(14)10-15(16)18(24)25/h2-9,15-16H,10H2,1H3,(H,22,23)(H,24,25)(H2,20,21,26)/t15-,16-/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
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![S09 S09](https://data.pdbj.org/pdbjplus/data/cc/svg/S09.svg) | S09 | Name: | (1R,2R)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C24 H21 N3 O5 | SMILES: | O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | InChi: | InChI=1S/C24H21N3O5/c28-20-8-4-7-17-18(20)13-19(23(30)31)21(17)27-22(29)14-9-11-16(12-10-14)26-24(32)25-15-5-2-1-3-6-15/h1-12,19,21,28H,13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t19-,21+/m1/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (1R,2R)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
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![S0T S0T](https://data.pdbj.org/pdbjplus/data/cc/svg/S0T.svg) | S0T | Name: | (1S,2S)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C24 H21 N3 O5 | SMILES: | O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | InChi: | InChI=1S/C24H21N3O5/c28-20-8-4-7-17-18(20)13-19(23(30)31)21(17)27-22(29)14-9-11-16(12-10-14)26-24(32)25-15-5-2-1-3-6-15/h1-12,19,21,28H,13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t19-,21+/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (1S,2S)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
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![S1F S1F](https://data.pdbj.org/pdbjplus/data/cc/svg/S1F.svg) | S1F | Name: | (1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C19 H18 N2 O5 | SMILES: | O=C(OC)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O | InChi: | InChI=1S/C19H18N2O5/c1-26-19(25)20-13-8-6-11(7-9-13)17(22)21-16-14-5-3-2-4-12(14)10-15(16)18(23)24/h2-9,15-16H,10H2,1H3,(H,20,25)(H,21,22)(H,23,24)/t15-,16+/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
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![S1O S1O](https://data.pdbj.org/pdbjplus/data/cc/svg/S1O.svg) | S1O | Name: | {1-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol | Formula: | C14 H17 N7 O | SMILES: | OCc1cn(nn1)C1CN(CCC1)c1ncnc2[NH]ccc21 | InChi: | InChI=1S/C14H17N7O/c22-8-10-6-21(19-18-10)11-2-1-5-20(7-11)14-12-3-4-15-13(12)16-9-17-14/h3-4,6,9,11,22H,1-2,5,7-8H2,(H,15,16,17)/t11-/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | {1-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol |
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![S1X S1X](https://data.pdbj.org/pdbjplus/data/cc/svg/S1X.svg) | S1X | Name: | (1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C21 H20 N2 O4 | SMILES: | O=C(Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O)C1CC1 | InChi: | InChI=1S/C21H20N2O4/c24-19(12-5-6-12)22-15-9-7-13(8-10-15)20(25)23-18-16-4-2-1-3-14(16)11-17(18)21(26)27/h1-4,7-10,12,17-18H,5-6,11H2,(H,22,24)(H,23,25)(H,26,27)/t17-,18+/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
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![S2R S2R](https://data.pdbj.org/pdbjplus/data/cc/svg/S2R.svg) | S2R | Name: | (1R,2R)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid | Formula: | C21 H20 N2 O4 | SMILES: | O=C(Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O)C1CC1 | InChi: | InChI=1S/C21H20N2O4/c24-19(12-5-6-12)22-15-9-7-13(8-10-15)20(25)23-18-16-4-2-1-3-14(16)11-17(18)21(26)27/h1-4,7-10,12,17-18H,5-6,11H2,(H,22,24)(H,23,25)(H,26,27)/t17-,18+/m1/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (1R,2R)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
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![S3E S3E](https://data.pdbj.org/pdbjplus/data/cc/svg/S3E.svg) | S3E | Name: | [(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid | Formula: | C12 H14 N4 O3 | SMILES: | O=C(O)CC1CN(CCO1)c1ncnc2[NH]ccc12 | InChi: | InChI=1S/C12H14N4O3/c17-10(18)5-8-6-16(3-4-19-8)12-9-1-2-13-11(9)14-7-15-12/h1-2,7-8H,3-6H2,(H,17,18)(H,13,14,15)/t8-/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | [(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid |
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