![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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![U2H U2H](https://data.pdbj.org/pdbjplus/data/cc/svg/U2H.svg) | U2H | Name: | ~{N}-methyl-~{N}-[(5-phenylmethoxy-1~{H}-indol-3-yl)methyl]propan-1-amine | Formula: | C20 H24 N2 O | SMILES: | CCCN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 | InChi: | InChI=1S/C20H24N2O/c1-3-11-22(2)14-17-13-21-20-10-9-18(12-19(17)20)23-15-16-7-5-4-6-8-16/h4-10,12-13,21H,3,11,14-15H2,1-2H3 | Definition date: | 2023-05-11 | Last modified: | 2024-02-02 | Release date: | 2024-02-07 | Identifier: | ~{N}-methyl-~{N}-[(5-phenylmethoxy-1~{H}-indol-3-yl)methyl]propan-1-amine |
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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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![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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![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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![WO0 WO0](https://data.pdbj.org/pdbjplus/data/cc/svg/WO0.svg) | WO0 | Name: | [(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid | Formula: | C17 H30 O3 | SMILES: | O=C(O)CC1(O)CC2C(CC1C)C(C)(C)CCC2(C)C | InChi: | InChI=1S/C17H30O3/c1-11-8-12-13(9-17(11,20)10-14(18)19)16(4,5)7-6-15(12,2)3/h11-13,20H,6-10H2,1-5H3,(H,18,19)/t11-,12+,13+,17-/m0/s1 | Definition date: | 2023-05-15 | Last modified: | 2024-01-31 | Release date: | 2023-06-14 | Identifier: | [(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid |
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![YQN YQN](https://data.pdbj.org/pdbjplus/data/cc/svg/YQN.svg) | YQN | Name: | ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2,6-bis(oxidanylidene)-5~{H}-pyrimidine-5-carboxamide | Formula: | C28 H33 N5 O4 | SMILES: | CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)[CH]4C=NC(=O)NC4=O | InChi: | InChI=1S/C28H33N5O4/c1-28(2,3)19-11-13-21(14-12-19)33(26(36)22-17-30-27(37)32-24(22)34)23(18-8-7-15-29-16-18)25(35)31-20-9-5-4-6-10-20/h7-8,11-17,20,22-23H,4-6,9-10H2,1-3H3,(H,31,35)(H,32,34,37)/t22-,23-/m0/s1 | Definition date: | 2023-06-20 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2,6-bis(oxidanylidene)-5~{H}-pyrimidine-5-carboxamide |
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![YCB YCB](https://data.pdbj.org/pdbjplus/data/cc/svg/YCB.svg) | YCB | Name: | ~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine | Formula: | C25 H34 N6 | SMILES: | CN(C)CCCNc1nc(NCC2CCNCC2)c3cc(ccc3n1)c4ccccc4 | InChi: | InChI=1S/C25H34N6/c1-31(2)16-6-13-27-25-29-23-10-9-21(20-7-4-3-5-8-20)17-22(23)24(30-25)28-18-19-11-14-26-15-12-19/h3-5,7-10,17,19,26H,6,11-16,18H2,1-2H3,(H2,27,28,29,30) | Definition date: | 2023-06-13 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | ~{N}2-[3-(dimethylamino)propyl]-6-phenyl-~{N}4-(piperidin-4-ylmethyl)quinazoline-2,4-diamine |
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![YXJ YXJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YXJ.svg) | YXJ | Name: | 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide | Formula: | C21 H28 N6 O | SMILES: | NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCCC1 | InChi: | InChI=1S/C21H28N6O/c22-20(28)19-21(26-18(14-24-19)27-12-2-1-3-13-27)25-17-6-4-15(5-7-17)16-8-10-23-11-9-16/h4-7,14,16,23H,1-3,8-13H2,(H2,22,28)(H,25,26) | Definition date: | 2023-03-03 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | 5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide |
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![ZLI ZLI](https://data.pdbj.org/pdbjplus/data/cc/svg/ZLI.svg) | ZLI | Name: | ~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide | Formula: | C14 H15 N O S | SMILES: | Cc1ccc(CNC(=O)Cc2sccc2)cc1 | InChi: | InChI=1S/C14H15NOS/c1-11-4-6-12(7-5-11)10-15-14(16)9-13-3-2-8-17-13/h2-8H,9-10H2,1H3,(H,15,16) | Definition date: | 2023-06-28 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | ~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide |
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![ZLO ZLO](https://data.pdbj.org/pdbjplus/data/cc/svg/ZLO.svg) | ZLO | Name: | ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide | Formula: | C5 H7 N3 O S2 | SMILES: | CSc1nsc(NC(C)=O)n1 | InChi: | InChI=1S/C5H7N3OS2/c1-3(9)6-4-7-5(10-2)8-11-4/h1-2H3,(H,6,7,8,9) | Definition date: | 2023-06-28 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide |
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![ZLT ZLT](https://data.pdbj.org/pdbjplus/data/cc/svg/ZLT.svg) | ZLT | Name: | ~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide | Formula: | C10 H12 N2 O3 S | SMILES: | O=C(NC(=S)N1CCOCC1)c2occc2 | InChi: | InChI=1S/C10H12N2O3S/c13-9(8-2-1-5-15-8)11-10(16)12-3-6-14-7-4-12/h1-2,5H,3-4,6-7H2,(H,11,13,16) | Definition date: | 2023-06-28 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | ~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide |
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![ZLX ZLX](https://data.pdbj.org/pdbjplus/data/cc/svg/ZLX.svg) | ZLX | Name: | methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate | Formula: | C11 H13 N O5 | SMILES: | COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2 | InChi: | InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8-/m0/s1 | Definition date: | 2023-06-28 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate |
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![ZM8 ZM8](https://data.pdbj.org/pdbjplus/data/cc/svg/ZM8.svg) | ZM8 | Name: | 1-[4-(cyclopropylamino)piperidin-1-yl]ethanone | Formula: | C10 H18 N2 O | SMILES: | CC(=O)N1CCC(CC1)NC2CC2 | InChi: | InChI=1S/C10H18N2O/c1-8(13)12-6-4-10(5-7-12)11-9-2-3-9/h9-11H,2-7H2,1H3 | Definition date: | 2023-06-28 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | 1-[4-(cyclopropylamino)piperidin-1-yl]ethanone |
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![ZMC ZMC](https://data.pdbj.org/pdbjplus/data/cc/svg/ZMC.svg) | ZMC | Name: | ~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine | Formula: | C14 H14 N2 O2 | SMILES: | C1Oc2ccc(CNCc3ccncc3)cc2O1 | InChi: | InChI=1S/C14H14N2O2/c1-2-13-14(18-10-17-13)7-12(1)9-16-8-11-3-5-15-6-4-11/h1-7,16H,8-10H2 | Definition date: | 2023-06-28 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | ~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine |
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![ZMI ZMI](https://data.pdbj.org/pdbjplus/data/cc/svg/ZMI.svg) | ZMI | Name: | ~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide | Formula: | C11 H10 F N3 O2 | SMILES: | Cc1onc(c1)C(=O)NNc2ccccc2F | InChi: | InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)11(16)14-13-9-5-3-2-4-8(9)12/h2-6,13H,1H3,(H,14,16) | Definition date: | 2023-06-28 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | ~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide |
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![ZMT ZMT](https://data.pdbj.org/pdbjplus/data/cc/svg/ZMT.svg) | ZMT | Name: | ~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide | Formula: | C9 H11 N5 O S | SMILES: | CCCn1nnnc1NC(=O)c2sccc2 | InChi: | InChI=1S/C9H11N5OS/c1-2-5-14-9(11-12-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,11,13,15) | Definition date: | 2023-06-28 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | ~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide |
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![ZP8 ZP8](https://data.pdbj.org/pdbjplus/data/cc/svg/ZP8.svg) | ZP8 | Name: | 1-(2-cyanoethanoyl)piperidine-4-carboxamide | Formula: | C9 H13 N3 O2 | SMILES: | NC(=O)C1CCN(CC1)C(=O)CC#N | InChi: | InChI=1S/C9H13N3O2/c10-4-1-8(13)12-5-2-7(3-6-12)9(11)14/h7H,1-3,5-6H2,(H2,11,14) | Definition date: | 2023-06-29 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | 1-(2-cyanoethanoyl)piperidine-4-carboxamide |
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![ZPI ZPI](https://data.pdbj.org/pdbjplus/data/cc/svg/ZPI.svg) | ZPI | Name: | 6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile | Formula: | C13 H12 N2 | SMILES: | N#Cc1cccc2c3CCCCc3[nH]c12 | InChi: | InChI=1S/C13H12N2/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h3-4,6,15H,1-2,5,7H2 | Definition date: | 2023-06-29 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | 6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile |
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![ZPU ZPU](https://data.pdbj.org/pdbjplus/data/cc/svg/ZPU.svg) | ZPU | Name: | 4-propan-2-yl-~{N}-pyridin-2-yl-benzamide | Formula: | C15 H16 N2 O | SMILES: | CC(C)c1ccc(cc1)C(=O)Nc2ccccn2 | InChi: | InChI=1S/C15H16N2O/c1-11(2)12-6-8-13(9-7-12)15(18)17-14-5-3-4-10-16-14/h3-11H,1-2H3,(H,16,17,18) | Definition date: | 2023-06-29 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | 4-propan-2-yl-~{N}-pyridin-2-yl-benzamide |
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![A1H2D A1H2D](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H2D.svg) | A1H2D | Name: | (2~{S})-2-azanyl-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]propanoic acid | Formula: | C11 H14 N2 O2 | SMILES: | N[CH](C[CH]1CNc2ccccc12)C(O)=O | InChi: | InChI=1S/C11H14N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,7,9,13H,5-6,12H2,(H,14,15)/t7-,9+/m1/s1 | Definition date: | 2024-01-17 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | (2~{S})-2-azanyl-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]propanoic acid |
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![A1H2E A1H2E](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H2E.svg) | A1H2E | Name: | 1-[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]guanidine | Formula: | C17 H24 N4 O3 P | SMILES: | N[CH](CCCNC(N)=[NH2+])[P](=O)(Oc1ccccc1)Oc2ccccc2 | InChi: | InChI=1S/C17H23N4O3P/c18-16(12-7-13-21-17(19)20)25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,18H2,(H4,19,20,21)/p+1/t16-/m1/s1 | Definition date: | 2024-01-17 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | [azanyl-[[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]amino]methylidene]azanium |
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![A1ABZ A1ABZ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ABZ.svg) | A1ABZ | Name: | (2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid | Formula: | C18 H19 N4 O7 P | SMILES: | O=C(O)C(Cc1c[NH]c2ncccc21)=NC=C1/C(O)=C(C)NC=C1COP(=O)(O)O | InChi: | InChI=1S/C18H19N4O7P/c1-10-16(23)14(12(7-20-10)9-29-30(26,27)28)8-21-15(18(24)25)5-11-6-22-17-13(11)3-2-4-19-17/h2-4,6-8,20,23H,5,9H2,1H3,(H,19,22)(H,24,25)(H2,26,27,28)/b14-8-,21-15+ | Definition date: | 2024-01-05 | Last modified: | 2024-01-26 | Release date: | 2024-01-31 | Identifier: | (2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid |
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