![NXO NXO](https://data.pdbj.org/pdbjplus/data/cc/svg/NXO.svg) | NXO | Name: | 8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide | Formula: | C19 H14 F N O3 S | SMILES: | Fc1ccccc1c2ccc(cc2)c3cccc4CN[S](=O)(=O)Oc34 | InChi: | InChI=1S/C19H14FNO3S/c20-18-7-2-1-5-16(18)13-8-10-14(11-9-13)17-6-3-4-15-12-21-25(22,23)24-19(15)17/h1-11,21H,12H2 | Definition date: | 2023-01-19 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | 8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide |
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![X5W X5W](https://data.pdbj.org/pdbjplus/data/cc/svg/X5W.svg) | X5W | Name: | [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron | Formula: | C27 H25 B N3 O6 | SMILES: | COc1ccc2c(OC)cc(nc2c1)C(=O)Nc3cc(cc(c3)C(=O)N(C)Cc4ccccc4)[B](O)=O | InChi: | InChI=1S/C27H25BN3O6/c1-31(16-17-7-5-4-6-8-17)27(33)18-11-19(28(34)35)13-20(12-18)29-26(32)24-15-25(37-3)22-10-9-21(36-2)14-23(22)30-24/h4-15,34H,16H2,1-3H3,(H,29,32) | Definition date: | 2023-06-02 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron |
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![Y4F Y4F](https://data.pdbj.org/pdbjplus/data/cc/svg/Y4F.svg) | Y4F | Name: | Cyclic (adenosine-(2'-5')-monophosphate-adenosine-(3'-5')-monophosphate | Formula: | C20 H24 N10 O12 P2 | SMILES: | Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)n1cnc2c(N)ncnc21 | InChi: | InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(40-19)2-38-44(35,36)42-14-11(31)7(1-37-43(33,34)41-13)39-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | Definition date: | 2023-01-04 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | (2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7,14-bis(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione |
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![YN0 YN0](https://data.pdbj.org/pdbjplus/data/cc/svg/YN0.svg) | YN0 | Name: | tert-butyl {(1R,4s)-4-[(5M)-2-[(2S)-1-(3-tert-butylphenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-1-yl]cyclohexyl}carbamate | Formula: | C38 H49 N5 O4 | SMILES: | Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3cc(ccc3)C(C)(C)C)n(C3CCC(NC(=O)OC(C)(C)C)CC3)c2cc1 | InChi: | InChI=1S/C38H49N5O4/c1-23-34(24(2)47-41-23)25-15-20-31-30(21-25)40-35(43(31)28-18-16-27(17-19-28)39-36(45)46-38(6,7)8)32-13-10-14-33(44)42(32)29-12-9-11-26(22-29)37(3,4)5/h9,11-12,15,20-22,27-28,32H,10,13-14,16-19H2,1-8H3,(H,39,45)/t27-,28+,32-/m0/s1 | Definition date: | 2023-02-10 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | tert-butyl {(1R,4s)-4-[(5M)-2-[(2S)-1-(3-tert-butylphenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-1-yl]cyclohexyl}carbamate |
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![YN5 YN5](https://data.pdbj.org/pdbjplus/data/cc/svg/YN5.svg) | YN5 | Name: | (6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one | Formula: | C32 H36 N4 O5 | SMILES: | Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3ccc4OCCOc4c3)n(C3CCC(OC)CC3)c2cc1 | InChi: | InChI=1S/C32H36N4O5/c1-19-31(20(2)41-34-19)21-7-13-26-25(17-21)33-32(36(26)22-8-11-24(38-3)12-9-22)27-5-4-6-30(37)35(27)23-10-14-28-29(18-23)40-16-15-39-28/h7,10,13-14,17-18,22,24,27H,4-6,8-9,11-12,15-16H2,1-3H3/t22-,24+,27-/m0/s1 | Definition date: | 2023-02-10 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | (6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one |
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![YNQ YNQ](https://data.pdbj.org/pdbjplus/data/cc/svg/YNQ.svg) | YNQ | Name: | (2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide | Formula: | C21 H16 F3 N7 O2 | SMILES: | NC(=O)c1cccc2[NH]c(nc12)c1cccc(c1)C(=O)N1Cc2nnc(n2CC1)C(F)(F)F | InChi: | InChI=1S/C21H16F3N7O2/c22-21(23,24)20-29-28-15-10-30(7-8-31(15)20)19(33)12-4-1-3-11(9-12)18-26-14-6-2-5-13(17(25)32)16(14)27-18/h1-6,9H,7-8,10H2,(H2,25,32)(H,26,27) | Definition date: | 2023-02-13 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | (2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide |
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![ZTE ZTE](https://data.pdbj.org/pdbjplus/data/cc/svg/ZTE.svg) | ZTE | Name: | N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide | Formula: | C16 H16 N6 O4 S2 | SMILES: | NC(=O)CC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cc2ncnc(N)c2s1 | InChi: | InChI=1S/C16H16N6O4S2/c17-10(5-13(18)23)16(24)22-28(25,26)9-3-1-2-8(4-9)12-6-11-14(27-12)15(19)21-7-20-11/h1-4,6-7,10H,5,17H2,(H2,18,23)(H,22,24)(H2,19,20,21)/t10-/m0/s1 | Definition date: | 2023-07-04 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide |
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![U8O U8O](https://data.pdbj.org/pdbjplus/data/cc/svg/U8O.svg) | U8O | Name: | [1,2]thiazolo[5,4-b]pyridin-3-amine | Formula: | C6 H5 N3 S | SMILES: | Nc1nsc2ncccc12 | InChi: | InChI=1S/C6H5N3S/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H2,7,9) | Definition date: | 2023-01-30 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | [1,2]thiazolo[5,4-b]pyridin-3-amine |
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![U8X U8X](https://data.pdbj.org/pdbjplus/data/cc/svg/U8X.svg) | U8X | Name: | ~{N}-(4-hydroxyphenyl)-2-pyrazol-1-yl-ethanamide | Formula: | C11 H11 N3 O2 | SMILES: | Oc1ccc(NC(=O)Cn2cccn2)cc1 | InChi: | InChI=1S/C11H11N3O2/c15-10-4-2-9(3-5-10)13-11(16)8-14-7-1-6-12-14/h1-7,15H,8H2,(H,13,16) | Definition date: | 2023-01-30 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | ~{N}-(4-hydroxyphenyl)-2-pyrazol-1-yl-ethanamide |
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![U9C U9C](https://data.pdbj.org/pdbjplus/data/cc/svg/U9C.svg) | U9C | Name: | ~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-diamine | Formula: | C13 H12 N4 S | SMILES: | Nc1ccc(Nc2ccc3c(N)nsc3c2)cc1 | InChi: | InChI=1S/C13H12N4S/c14-8-1-3-9(4-2-8)16-10-5-6-11-12(7-10)18-17-13(11)15/h1-7,16H,14H2,(H2,15,17) | Definition date: | 2023-01-31 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | ~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-diamine |
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![VXE VXE](https://data.pdbj.org/pdbjplus/data/cc/svg/VXE.svg) | VXE | Name: | N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine | Formula: | C21 H20 N2 O4 | SMILES: | CCc1ccc(cc1)C(=O)NC(CC1=CC(=O)Nc2ccccc21)C(=O)O | InChi: | InChI=1S/C21H20N2O4/c1-2-13-7-9-14(10-8-13)20(25)23-18(21(26)27)11-15-12-19(24)22-17-6-4-3-5-16(15)17/h3-10,12,18H,2,11H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t18-/m0/s1 | Definition date: | 2023-09-19 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine |
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![ZWV ZWV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZWV.svg) | ZWV | Name: | (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol | Formula: | C28 H42 N8 O3 | SMILES: | CCCC(CCO)Nc1nc(N)nc2cnn(Cc3ncc(cc3OC)C3CCN(CC3)C3CCOCC3)c12 | InChi: | InChI=1S/C28H42N8O3/c1-3-4-21(7-12-37)32-27-26-23(33-28(29)34-27)17-31-36(26)18-24-25(38-2)15-20(16-30-24)19-5-10-35(11-6-19)22-8-13-39-14-9-22/h15-17,19,21-22,37H,3-14,18H2,1-2H3,(H3,29,32,33,34)/t21-/m0/s1 | Definition date: | 2023-04-17 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol |
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![U9X U9X](https://data.pdbj.org/pdbjplus/data/cc/svg/U9X.svg) | U9X | Name: | [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate | Formula: | C34 H60 N4 O7 | SMILES: | CC[CH](C)[CH](N(C)C)C(=O)O[CH](CC(C)C)C(=O)N[CH](CC(C)C)C(=O)N[CH](C)CCC(=O)N1[CH](CC(C)C)C(=CC1=O)OC | InChi: | InChI=1S/C34H60N4O7/c1-13-23(8)31(37(10)11)34(43)45-28(18-22(6)7)33(42)36-25(16-20(2)3)32(41)35-24(9)14-15-29(39)38-26(17-21(4)5)27(44-12)19-30(38)40/h19-26,28,31H,13-18H2,1-12H3,(H,35,41)(H,36,42)/t23-,24-,25-,26-,28-,31-/m0/s1 | Definition date: | 2023-01-31 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate |
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![VIU VIU](https://data.pdbj.org/pdbjplus/data/cc/svg/VIU.svg) | VIU | Name: | 1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine | Formula: | C23 H29 N3 S | SMILES: | CCc1cc(cc2[SH]=C3C=C(C=C(C)C3=Nc12)N4CCCC4)N5CCCC5 | InChi: | InChI=1S/C23H29N3S/c1-3-17-13-19(26-10-6-7-11-26)15-21-23(17)24-22-16(2)12-18(14-20(22)27-21)25-8-4-5-9-25/h12-15,27H,3-11H2,1-2H3 | Definition date: | 2023-03-08 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | 1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine |
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![UAI UAI](https://data.pdbj.org/pdbjplus/data/cc/svg/UAI.svg) | UAI | Name: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol | Formula: | C15 H14 Cl2 O2 | SMILES: | CC(C)(c1ccc(O)c(Cl)c1)c2ccc(O)c(Cl)c2 | InChi: | InChI=1S/C15H14Cl2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3 | Definition date: | 2023-01-31 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | 2-chloranyl-4-[2-(3-chloranyl-4-oxidanyl-phenyl)propan-2-yl]phenol |
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![OL6 OL6](https://data.pdbj.org/pdbjplus/data/cc/svg/OL6.svg) | OL6 | Name: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid | Formula: | C20 H22 N2 O6 S | SMILES: | CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)COc2cccc3ccccc23)C(O)=O | InChi: | InChI=1S/C20H22N2O6S/c1-20(2)16(19(26)27)22-17(29-20)15(18(24)25)21-14(23)10-28-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,15-17,22H,10H2,1-2H3,(H,21,23)(H,24,25)(H,26,27)/t15-,16-,17+/m0/s1 | Definition date: | 2023-02-07 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | (2~{R},4~{S})-5,5-dimethyl-2-[(1~{R})-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid |
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![WGF WGF](https://data.pdbj.org/pdbjplus/data/cc/svg/WGF.svg) | WGF | Name: | 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide | Formula: | C26 H29 F2 N7 O3 | SMILES: | CCC(=O)N1CC(CC1COC)n1nc(C#Cc2c(F)cc3n(cnc3c2F)C2CC2)c(c1NC)C(N)=O | InChi: | InChI=1S/C26H29F2N7O3/c1-4-21(36)33-11-15(9-16(33)12-38-3)35-26(30-2)22(25(29)37)19(32-35)8-7-17-18(27)10-20-24(23(17)28)31-13-34(20)14-5-6-14/h10,13-16,30H,4-6,9,11-12H2,1-3H3,(H2,29,37)/t15-,16+/m0/s1 | Synonyms: | KIN-3248 | Definition date: | 2023-10-03 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide |
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![QCX QCX](https://data.pdbj.org/pdbjplus/data/cc/svg/QCX.svg) | QCX | Name: | (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol | Formula: | C25 H37 N7 O3 | SMILES: | CCCC(CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12 | InChi: | InChI=1S/C25H37N7O3/c1-3-4-20(7-10-33)29-24-23-21(30-25(26)31-24)15-28-32(23)16-18-6-5-17(13-22(18)34-2)14-27-19-8-11-35-12-9-19/h5-6,13,15,19-20,27,33H,3-4,7-12,14,16H2,1-2H3,(H3,26,29,30,31)/t20-/m0/s1 | Definition date: | 2023-08-18 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol |
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![OS9 OS9](https://data.pdbj.org/pdbjplus/data/cc/svg/OS9.svg) | OS9 | Name: | 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one | Formula: | C29 H33 N3 O3 | SMILES: | COc1ccccc1Oc2cccc(CN3CCC4(CC3)N(CCc5ccccc5)CNC4=O)c2 | InChi: | InChI=1S/C29H33N3O3/c1-34-26-12-5-6-13-27(26)35-25-11-7-10-24(20-25)21-31-18-15-29(16-19-31)28(33)30-22-32(29)17-14-23-8-3-2-4-9-23/h2-13,20H,14-19,21-22H2,1H3,(H,30,33) | Synonyms: | LMD-009 | Definition date: | 2023-08-24 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one |
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![QEC QEC](https://data.pdbj.org/pdbjplus/data/cc/svg/QEC.svg) | QEC | Name: | N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine | Formula: | C22 H31 N7 O | SMILES: | COc1cc(CNC2CCC2)ccc1Cn1cc2nc(N)nc(NCCCC)c2n1 | InChi: | InChI=1S/C22H31N7O/c1-3-4-10-24-21-20-18(26-22(23)27-21)14-29(28-20)13-16-9-8-15(11-19(16)30-2)12-25-17-6-5-7-17/h8-9,11,14,17,25H,3-7,10,12-13H2,1-2H3,(H3,23,24,26,27) | Definition date: | 2023-08-18 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine |
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![OXF OXF](https://data.pdbj.org/pdbjplus/data/cc/svg/OXF.svg) | OXF | Name: | 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol | Formula: | C21 H28 N2 O3 | SMILES: | OCCOCCN1CCN(CC1)Cc2cccc(Oc3ccccc3)c2 | InChi: | InChI=1S/C21H28N2O3/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20/h1-8,17,24H,9-16,18H2 | Synonyms: | ZK-756326 | Definition date: | 2023-08-24 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol |
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![7MO 7MO](https://data.pdbj.org/pdbjplus/data/cc/svg/7MO.svg) | 7MO | Name: | 5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine | Formula: | C13 H22 N7 O6 P | SMILES: | NP(=O)(OCCCN)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C13H22N7O6P/c14-2-1-3-24-27(16,23)25-4-7-9(21)10(22)13(26-7)20-6-19-8-11(15)17-5-18-12(8)20/h5-7,9-10,13,21-22H,1-4,14H2,(H2,16,23)(H2,15,17,18)/t7-,9-,10-,13-,27-/m1/s1 | Definition date: | 2023-02-15 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | 5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine |
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![7QJ 7QJ](https://data.pdbj.org/pdbjplus/data/cc/svg/7QJ.svg) | 7QJ | Name: | 3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid | Formula: | C18 H18 F3 N3 O3 | SMILES: | CN(c1cc(nc(OCCC(O)=O)n1)C(F)(F)F)c2cccc3CCCc23 | InChi: | InChI=1S/C18H18F3N3O3/c1-24(13-7-3-5-11-4-2-6-12(11)13)15-10-14(18(19,20)21)22-17(23-15)27-9-8-16(25)26/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,25,26) | Definition date: | 2023-07-12 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | 3-[4-[2,3-dihydro-1~{H}-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid |
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![IX4 IX4](https://data.pdbj.org/pdbjplus/data/cc/svg/IX4.svg) | IX4 | Name: | ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | Formula: | C12 H14 N6 O | SMILES: | CC1(CCC(=O)NCc2[nH]c3cccnc3n2)N=N1 | InChi: | InChI=1S/C12H14N6O/c1-12(17-18-12)5-4-10(19)14-7-9-15-8-3-2-6-13-11(8)16-9/h2-3,6H,4-5,7H2,1H3,(H,14,19)(H,13,15,16) | Definition date: | 2023-08-03 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide |
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![JIE JIE](https://data.pdbj.org/pdbjplus/data/cc/svg/JIE.svg) | JIE | Name: | [(2R,3S,4R,5R)-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2S)-2-azanyl-4-methyl-pentanoyl]sulfamate | Formula: | C17 H26 N6 O7 S | SMILES: | CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nccc23 | InChi: | InChI=1S/C17H26N6O7S/c1-8(2)5-9(18)16(26)22-31(27,28)29-6-11-13(24)14(25)17(30-11)23-7-21-12-10(23)3-4-20-15(12)19/h3-4,7-9,11,13-14,17,24-25H,5-6,18H2,1-2H3,(H2,19,20)(H,22,26)/t9-,11+,13+,14+,17+/m0/s1 | Definition date: | 2022-08-17 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
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