![JIR JIR](https://data.pdbj.org/pdbjplus/data/cc/svg/JIR.svg) | JIR | Name: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile | Formula: | C14 H11 Cl N6 | SMILES: | CNc1nc(Cl)nc2n(Cc3cccc(c3)C#N)cnc12 | InChi: | InChI=1S/C14H11ClN6/c1-17-12-11-13(20-14(15)19-12)21(8-18-11)7-10-4-2-3-9(5-10)6-16/h2-5,8H,7H2,1H3,(H,17,19,20) | Definition date: | 2023-08-07 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile |
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![JNC JNC](https://data.pdbj.org/pdbjplus/data/cc/svg/JNC.svg) | JNC | Name: | 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | Formula: | C13 H11 Cl2 N5 | SMILES: | CNc1nc(Cl)nc2c(Cc3cccc(Cl)c3)[nH]nc12 | InChi: | InChI=1S/C13H11Cl2N5/c1-16-12-11-10(17-13(15)18-12)9(19-20-11)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,19,20)(H,16,17,18) | Definition date: | 2023-08-08 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
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![JO0 JO0](https://data.pdbj.org/pdbjplus/data/cc/svg/JO0.svg) | JO0 | Name: | 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine | Formula: | C15 H15 Cl2 N5 | SMILES: | Clc1cccc(CN2CNc3c(NC4CC4)nc(Cl)nc23)c1 | InChi: | InChI=1S/C15H15Cl2N5/c16-10-3-1-2-9(6-10)7-22-8-18-12-13(19-11-4-5-11)20-15(17)21-14(12)22/h1-3,6,11,18H,4-5,7-8H2,(H,19,20,21) | Definition date: | 2023-08-08 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine |
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![K1O K1O](https://data.pdbj.org/pdbjplus/data/cc/svg/K1O.svg) | K1O | Name: | 2-chloranyl-N-methyl-9-[[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine | Formula: | C14 H12 Cl N9 | SMILES: | CNc1nc(Cl)nc2n(Cc3cccc(c3)c4[nH]nnn4)cnc12 | InChi: | InChI=1S/C14H12ClN9/c1-16-12-10-13(19-14(15)18-12)24(7-17-10)6-8-3-2-4-9(5-8)11-20-22-23-21-11/h2-5,7H,6H2,1H3,(H,16,18,19)(H,20,21,22,23) | Definition date: | 2023-08-10 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 2-chloranyl-~{N}-methyl-9-[[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine |
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![SRM SRM](https://data.pdbj.org/pdbjplus/data/cc/svg/SRM.svg) | SRM | Name: | SIROHEME | Formula: | C42 H44 Fe N4 O16 | SMILES: | O=C(O)CCC=6C7=Cc1c(c(c2n1[Fe]84N5C(=CC3=C(CCC(=O)O)C(C(=C2)N34)(C)CC(=O)O)C(C(=C5C=C(C=6CC(=O)O)N78)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O | InChi: | InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29 | Definition date: | 1999-07-08 | Last modified: | 2023-11-29 | Identifier: | {3,3',3'',3'''-[(8S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}iron |
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![EXA EXA](https://data.pdbj.org/pdbjplus/data/cc/svg/EXA.svg) | EXA | Name: | N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine | Formula: | C17 H27 N4 O9 P | SMILES: | Oc1c(C(N=C(/C)C(=O)O)NCCCCC(N)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C17H27N4O9P/c1-9-14(22)13(11(7-20-9)8-30-31(27,28)29)15(21-10(2)16(23)24)19-6-4-3-5-12(18)17(25)26/h7,12,15,19,22H,3-6,8,18H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/b21-10+/t12-,15+/m0/s1 | Definition date: | 2017-03-01 | Last modified: | 2023-11-27 | Release date: | 2018-03-07 | Identifier: | N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine |
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![TWC TWC](https://data.pdbj.org/pdbjplus/data/cc/svg/TWC.svg) | TWC | Name: | 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one | Formula: | C6 H7 F3 N2 O | SMILES: | FC(F)(F)C=1CC(=O)N(CC)N=1 | InChi: | InChI=1S/C6H7F3N2O/c1-2-11-5(12)3-4(10-11)6(7,8)9/h2-3H2,1H3 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
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![TI6 TI6](https://data.pdbj.org/pdbjplus/data/cc/svg/TI6.svg) | TI6 | Name: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol | Formula: | C8 H17 N O3 S | SMILES: | CC1CCCN(C1CO)S(=O)(C)=O | InChi: | InChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol |
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![TWR TWR](https://data.pdbj.org/pdbjplus/data/cc/svg/TWR.svg) | TWR | Name: | 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide | Formula: | C10 H13 F N2 O2 | SMILES: | CN(C)C(=O)COc1ccc(N)c(F)c1 | InChi: | InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide |
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![TX0 TX0](https://data.pdbj.org/pdbjplus/data/cc/svg/TX0.svg) | TX0 | Name: | thiophene-3-carboxylic acid | Formula: | C5 H4 O2 S | SMILES: | O=C(O)c1ccsc1 | InChi: | InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | thiophene-3-carboxylic acid |
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![V5L V5L](https://data.pdbj.org/pdbjplus/data/cc/svg/V5L.svg) | V5L | Name: | 1-(4-methoxyphenyl)-1,2,3,4-tetrazole | Formula: | C8 H8 N4 O | SMILES: | COc1ccc(cc1)n2cnnn2 | InChi: | InChI=1S/C8H8N4O/c1-13-8-4-2-7(3-5-8)12-6-9-10-11-12/h2-6H,1H3 | Definition date: | 2023-07-07 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 1-(4-methoxyphenyl)-1,2,3,4-tetrazole |
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![TJ0 TJ0](https://data.pdbj.org/pdbjplus/data/cc/svg/TJ0.svg) | TJ0 | Name: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one | Formula: | C12 H11 F3 N2 O2 | SMILES: | O=C1CN(CCN1)C(=O)c1ccccc1C(F)(F)F | InChi: | InChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)11(19)17-6-5-16-10(18)7-17/h1-4H,5-7H2,(H,16,18) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one |
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![K43 K43](https://data.pdbj.org/pdbjplus/data/cc/svg/K43.svg) | K43 | Name: | 9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine | Formula: | C22 H26 F2 N10 O8 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67 | InChi: | InChI=1S/C22H26F2N10O8P2/c23-13-11(33-7-31-15-19(25)27-5-29-21(15)33)1-9-3-39-43(35,36)42-18-10(4-40-44(37,38)41-17(9)13)2-12(14(18)24)34-8-32-16-20(26)28-6-30-22(16)34/h5-14,17-18H,1-4H2,(H,35,36)(H,37,38)(H2,25,27,29)(H2,26,28,30)/t9-,10-,11-,12-,13+,14+,17-,18-/m1/s1 | Synonyms: | 3',3'-c-di-(2'F,2'dAMP) | Definition date: | 2022-05-19 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine |
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![TJA TJA](https://data.pdbj.org/pdbjplus/data/cc/svg/TJA.svg) | TJA | Name: | (4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine | Formula: | C6 H10 N4 | SMILES: | Cc1nnc2CNCCn12 | InChi: | InChI=1S/C6H10N4/c1-5-8-9-6-4-7-2-3-10(5)6/h7H,2-4H2,1H3 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine |
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![T4R T4R](https://data.pdbj.org/pdbjplus/data/cc/svg/T4R.svg) | T4R | Name: | 5-iodo-1H-pyrazole | Formula: | C3 H3 I N2 | SMILES: | Ic1ccn[NH]1 | InChi: | InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 5-iodo-1H-pyrazole |
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![VLF VLF](https://data.pdbj.org/pdbjplus/data/cc/svg/VLF.svg) | VLF | Name: | 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide | Formula: | C17 H19 N O4 S | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CO | InChi: | InChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(21,22)18-16(17(20)12-19)11-14-5-3-2-4-6-14/h2-10,16,18-19H,11-12H2,1H3/t16-/m0/s1 | Definition date: | 2023-03-15 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide |
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![TJL TJL](https://data.pdbj.org/pdbjplus/data/cc/svg/TJL.svg) | TJL | Name: | 4-(1,2,4-oxadiazol-5-yl)aniline | Formula: | C8 H7 N3 O | SMILES: | Nc1ccc(cc1)c1ncno1 | InChi: | InChI=1S/C8H7N3O/c9-7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,9H2 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 4-(1,2,4-oxadiazol-5-yl)aniline |
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![V6C V6C](https://data.pdbj.org/pdbjplus/data/cc/svg/V6C.svg) | V6C | Name: | 1-(3-methoxyphenyl)-1,2,3,4-tetrazole | Formula: | C8 H8 N4 O | SMILES: | COc1cccc(c1)n2cnnn2 | InChi: | InChI=1S/C8H8N4O/c1-13-8-4-2-3-7(5-8)12-6-9-10-11-12/h2-6H,1H3 | Definition date: | 2023-07-07 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 1-(3-methoxyphenyl)-1,2,3,4-tetrazole |
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![TJX TJX](https://data.pdbj.org/pdbjplus/data/cc/svg/TJX.svg) | TJX | Name: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine | Formula: | C8 H9 N3 | SMILES: | NCc1cc2nccn2cc1 | InChi: | InChI=1S/C8H9N3/c9-6-7-1-3-11-4-2-10-8(11)5-7/h1-5H,6,9H2 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine |
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![X1B X1B](https://data.pdbj.org/pdbjplus/data/cc/svg/X1B.svg) | X1B | Name: | {(4Z)-2-[(1S)-1-amino-2-(1-methyl-1H-imidazol-5-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetaldehyde | Formula: | C18 H19 N5 O4 | SMILES: | O=C1C(/N=C(C(N)Cc2cncn2C)N1CC(O)=O)=C/c1ccc(O)cc1 | InChi: | InChI=1S/C18H19N5O4/c1-22-10-20-8-12(22)7-14(19)17-21-15(18(27)23(17)9-16(25)26)6-11-2-4-13(24)5-3-11/h2-6,8,10,14,24H,7,9,19H2,1H3,(H,25,26)/b15-6-/t14-/m0/s1 | Synonyms: | CHROMOPHORE (N1-METHYLATED HIS-TYR-GLY) | Definition date: | 2023-10-18 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | {(4Z)-2-[(1S)-1-amino-2-(1-methyl-1H-imidazol-5-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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![TKI TKI](https://data.pdbj.org/pdbjplus/data/cc/svg/TKI.svg) | TKI | Name: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid | Formula: | C10 H16 N4 O2 | SMILES: | CCc1nc(CC)nc(n1)N(C)CC(O)=O | InChi: | InChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16) | Synonyms: | 2-(N-methyl-N-(4,6-divinyl-1,3,5-triazin-2-yl)amino)acetic acid (precursor) | Definition date: | 2023-01-06 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid |
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![SQT SQT](https://data.pdbj.org/pdbjplus/data/cc/svg/SQT.svg) | SQT | Name: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide | Formula: | C16 H19 N5 | SMILES: | N=C(N)c1cnc(cc1)N1CCN(CC1)c1ccccc1 | InChi: | InChI=1S/C16H19N5/c17-16(18)13-6-7-15(19-12-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H3,17,18) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide |
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![TKM TKM](https://data.pdbj.org/pdbjplus/data/cc/svg/TKM.svg) | TKM | Name: | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid | Formula: | C9 H12 N2 O3 | SMILES: | O=C(O)c1ccnn1C1CCOCC1 | InChi: | InChI=1S/C9H12N2O3/c12-9(13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H,12,13) | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid |
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![T63 T63](https://data.pdbj.org/pdbjplus/data/cc/svg/T63.svg) | T63 | Name: | 2-phenylpyrimidin-5-ol | Formula: | C10 H8 N2 O | SMILES: | Oc1cnc(nc1)c1ccccc1 | InChi: | InChI=1S/C10H8N2O/c13-9-6-11-10(12-7-9)8-4-2-1-3-5-8/h1-7,13H | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 2-phenylpyrimidin-5-ol |
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![TZ9 TZ9](https://data.pdbj.org/pdbjplus/data/cc/svg/TZ9.svg) | TZ9 | Name: | 6,8-bis(fluoranyl)chromene | Formula: | C9 H6 F2 O | SMILES: | Fc1cc(F)c2OCC=Cc2c1 | InChi: | InChI=1S/C9H6F2O/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-2,4-5H,3H2 | Definition date: | 2023-08-28 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | 6,8-difluoro-2H-1-benzopyran |
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