![8EL 8EL](https://data.pdbj.org/pdbjplus/data/cc/svg/8EL.svg) | 8EL | Name: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate | Formula: | C12 H20 N4 O7 P2 S | SMILES: | Cc1ncc(CN2CSC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1 | InChi: | InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5H,3-4,6-7H2,1-2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19) | Definition date: | 2017-06-20 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2~{H}-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate |
|
![8EO 8EO](https://data.pdbj.org/pdbjplus/data/cc/svg/8EO.svg) | 8EO | Name: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate | Formula: | C12 H21 N4 O7 P2 S | SMILES: | Cc1ncc(C[N+]2=C(C)[CH](CCO[P](O)(=O)O[P](O)(O)=O)SC2)c(N)n1 | InChi: | InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,11H,3-4,6-7H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1/t11-/m0/s1 | Definition date: | 2017-06-20 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 2-[(5~{S})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate |
|
![8FL 8FL](https://data.pdbj.org/pdbjplus/data/cc/svg/8FL.svg) | 8FL | Name: | 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate | Formula: | C12 H20 N4 O8 P2 S | SMILES: | Cc1ncc(CN2[CH](O)SC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1 | InChi: | InChI=1S/C12H20N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5,12,17H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)/t12-/m1/s1 | Definition date: | 2017-06-27 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 2-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2~{H}-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate |
|
![8P0 8P0](https://data.pdbj.org/pdbjplus/data/cc/svg/8P0.svg) | 8P0 | Name: | pyrene | Formula: | C16 H10 | SMILES: | c1cc4c3c(c1)ccc2cccc(c23)cc4 | InChi: | InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H | Definition date: | 2017-04-13 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | pyrene |
|
![DVW DVW](https://data.pdbj.org/pdbjplus/data/cc/svg/DVW.svg) | DVW | Name: | five-coordinate platinum(II) compound | Formula: | C27 H31 N7 O5 Pt | SMILES: | Cn1cncc1c2cn(nn2)C3OC(O)C(O)C(O)C3O.Cc4ccc5ccc6ccc(C)nc6c5n4.C7C[Pt]7 | InChi: | InChI=1S/C14H12N2.C11H15N5O5.C2H4.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9 | Definition date: | 2018-02-02 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 |
|
![DW5 DW5](https://data.pdbj.org/pdbjplus/data/cc/svg/DW5.svg) | DW5 | Name: | five-coordinate platinum(II) compound | Formula: | C17 H15 N2 Pt | SMILES: | CC.C[Pt].Cc1ccc2ccc3ccc(C)nc3c2n1 | InChi: | InChI=1S/C14H12N2.C2H4.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9 | Definition date: | 2018-02-02 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 |
|
![E7N E7N](https://data.pdbj.org/pdbjplus/data/cc/svg/E7N.svg) | E7N | Name: | ~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide | Formula: | C25 H31 N5 O3 S | SMILES: | CCC[S](=O)(=O)Nc1cc(ccc1OC)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4 | InChi: | InChI=1S/C25H31N5O3S/c1-3-14-34(31,32)29-23-16-19(6-9-24(23)33-2)22-15-20(17-28-25(22)26)18-4-7-21(8-5-18)30-12-10-27-11-13-30/h4-9,15-17,27,29H,3,10-14H2,1-2H3,(H2,26,28) | Definition date: | 2018-02-26 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | ~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide |
|
![E8Z E8Z](https://data.pdbj.org/pdbjplus/data/cc/svg/E8Z.svg) | E8Z | Name: | ~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide | Formula: | C18 H15 N O3 | SMILES: | Cc1ccc(NC(=O)C2=COc3ccccc3C2=O)cc1C | InChi: | InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21) | Definition date: | 2018-03-05 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | ~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide |
|
![E92 E92](https://data.pdbj.org/pdbjplus/data/cc/svg/E92.svg) | E92 | Name: | ~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide | Formula: | C16 H10 Cl N O3 | SMILES: | Clc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1 | InChi: | InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20) | Definition date: | 2018-03-05 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | ~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide |
|
![E98 E98](https://data.pdbj.org/pdbjplus/data/cc/svg/E98.svg) | E98 | Name: | ~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide | Formula: | C16 H10 F N O3 | SMILES: | Fc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1 | InChi: | InChI=1S/C16H10FNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20) | Definition date: | 2018-03-06 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | ~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide |
|
![EJS EJS](https://data.pdbj.org/pdbjplus/data/cc/svg/EJS.svg) | EJS | Name: | (4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide | Formula: | C25 H25 F N8 O5 | SMILES: | O=C(C1C(NC(=O)NC1c3cc(C(NCc2onc(n2)COC)=O)c(F)cc3)C)Nc4ccc5c(c4)cnn5 | InChi: | InChI=1S/C25H25FN8O5/c1-12-21(24(36)30-15-4-6-18-14(7-15)9-28-33-18)22(32-25(37)29-12)13-3-5-17(26)16(8-13)23(35)27-10-20-31-19(11-38-2)34-39-20/h3-9,12,21-22H,10-11H2,1-2H3,(H,27,35)(H,28,33)(H,30,36)(H2,29,32,37)/t12-,21+,22-/m0/s1 | Definition date: | 2018-01-14 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | (4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide |
|
![EVM EVM](https://data.pdbj.org/pdbjplus/data/cc/svg/EVM.svg) | EVM | Name: | L-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene] | Formula: | C11 H14 N2 O8 P | SMILES: | C(O)(=O)[C-](N=Cc1c(c(ncc1COP(O)(O)=O)C)O)CO | InChi: | InChI=1S/C11H14N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/q-1/b13-3+ | Definition date: | 2018-02-02 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 1-carboxy-2-hydroxy-1-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethan-1-ide |
|
![XQB XQB](https://data.pdbj.org/pdbjplus/data/cc/svg/XQB.svg) | XQB | Name: | 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid | Formula: | C7 H9 N O6 | SMILES: | O[CH](C[CH](C(O)=O)C(=N)C(O)=O)C=O | InChi: | InChI=1S/C7H9NO6/c8-5(7(13)14)4(6(11)12)1-3(10)2-9/h2-4,8,10H,1H2,(H,11,12)(H,13,14)/b8-5-/t3-,4-/m0/s1 | Definition date: | 2017-11-29 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | (3~{S})-2-azanylidene-3-[(2~{S})-2-oxidanyl-3-oxidanylidene-propyl]butanedioic acid |
|
![YQA YQA](https://data.pdbj.org/pdbjplus/data/cc/svg/YQA.svg) | YQA | Name: | 5-hydroxy,-4,5-dihydroquinolinate | Formula: | C7 H7 N O5 | SMILES: | O[CH]1CC(=C(N=C1)C(O)=O)C(O)=O | InChi: | InChI=1S/C7H7NO5/c9-3-1-4(6(10)11)5(7(12)13)8-2-3/h2-3,9H,1H2,(H,10,11)(H,12,13)/t3-/m1/s1 | Definition date: | 2017-11-29 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | (3~{R})-3-oxidanyl-3,4-dihydropyridine-5,6-dicarboxylic acid |
|
![FSB FSB](https://data.pdbj.org/pdbjplus/data/cc/svg/FSB.svg) | FSB | Name: | N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE | Formula: | C14 H13 F N2 O3 S | SMILES: | c1cc(ccc1C(=O)NCc2ccccc2F)S(N)(=O)=O | InChi: | InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20) | Definition date: | 2000-10-13 | Last modified: | 2018-04-18 | Identifier: | N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide |
|
![JM1 JM1](https://data.pdbj.org/pdbjplus/data/cc/svg/JM1.svg) | JM1 | Name: | FLUORINATED PYRIDOCARBAZOLE CYCLOPENTADIENYL RU(CO) COMPLEX | Formula: | C23 H12 F N3 O3 Ru | SMILES: | Fc6cn%11[Ru]4132(C5C1C2C3C45)(C#[O+])n9c8c%11c(c6)c7c(C(NC7=O)=O)c8c%10c9cccc%10 | InChi: | InChI=1S/C17H8FN3O2.C5H5.CO.Ru/c18-7-5-9-12-13(17(23)21-16(12)22)11-8-3-1-2-4-10(8)20-15(11)14(9)19-6-7 | Definition date: | 2007-01-17 | Last modified: | 2018-04-18 | Identifier: | carbonyl[(1,2,3,4,5-eta)-cyclopentadienyl](3-fluoro-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+) |
|
![F6B F6B](https://data.pdbj.org/pdbjplus/data/cc/svg/F6B.svg) | F6B | Name: | N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE | Formula: | C14 H12 F2 N2 O3 S | SMILES: | c1cc(ccc1C(=O)NCc2c(cccc2F)F)S(N)(=O)=O | InChi: | InChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21) | Definition date: | 2000-10-27 | Last modified: | 2018-04-18 | Identifier: | N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide |
|
![FBS FBS](https://data.pdbj.org/pdbjplus/data/cc/svg/FBS.svg) | FBS | Name: | 4-FLUOROBENZENESULFONAMIDE | Formula: | C6 H6 F N O2 S | SMILES: | c1(ccc(cc1)S(=O)(=O)N)F | InChi: | InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10) | Definition date: | 2001-04-13 | Last modified: | 2018-04-18 | Identifier: | 4-fluorobenzene-1-sulfonamide |
|
![FFB FFB](https://data.pdbj.org/pdbjplus/data/cc/svg/FFB.svg) | FFB | Name: | N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE | Formula: | C14 H9 F5 N2 O3 S | SMILES: | c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(N)(=O)=O | InChi: | InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24) | Definition date: | 2000-10-30 | Last modified: | 2018-04-18 | Identifier: | N-[(pentafluorophenyl)methyl]-4-sulfamoylbenzamide |
|
![1MA 1MA](https://data.pdbj.org/pdbjplus/data/cc/svg/1MA.svg) | 1MA | Name: | 6-HYDRO-1-METHYLADENOSINE-5'-MONOPHOSPHATE | Formula: | C11 H16 N5 O7 P | SMILES: | P(=O)(O)(O)OCC1OC(C(C1O)O)n2cnc3C(=N)N(C)C=Nc23 | InChi: | InChI=1S/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b12-9-/t5-,7-,8-,11-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2018-04-17 | Identifier: | 1-methyladenosine 5'-(dihydrogen phosphate) |
|
![N2B N2B](https://data.pdbj.org/pdbjplus/data/cc/svg/N2B.svg) | N2B | Name: | ETHYLBENZENE | Formula: | C8 H10 | SMILES: | c1(ccccc1)CC | InChi: | InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 | Definition date: | 1999-07-08 | Last modified: | 2018-04-17 | Identifier: | ethylbenzene |
|
![HV9 HV9](https://data.pdbj.org/pdbjplus/data/cc/svg/HV9.svg) | HV9 | Name: | 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide | Formula: | C18 H20 F3 N5 O3 S | SMILES: | Cc1ccc(cc1)S(=O)(=O)NC(=O)NC3CCN(c2nccc(n2)C(F)(F)F)CC3 | InChi: | InChI=1S/C18H20F3N5O3S/c1-12-2-4-14(5-3-12)30(28,29)25-17(27)23-13-7-10-26(11-8-13)16-22-9-6-15(24-16)18(19,20)21/h2-6,9,13H,7-8,10-11H2,1H3,(H2,23,25,27) | Definition date: | 2017-04-20 | Last modified: | 2018-04-13 | Release date: | 2018-04-18 | Identifier: | 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide |
|
![88U 88U](https://data.pdbj.org/pdbjplus/data/cc/svg/88U.svg) | 88U | Name: | N-(4-methoxyphenyl)-N,2-dimethyl-quinazolin-4-amine | Formula: | C17 H17 N3 O | SMILES: | COc1ccc(cc1)N(C)c2nc(C)nc3ccccc23 | InChi: | InChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3 | Definition date: | 2017-05-18 | Last modified: | 2018-04-13 | Release date: | 2018-04-18 | Identifier: | ~{N}-(4-methoxyphenyl)-~{N},2-dimethyl-quinazolin-4-amine |
|
![890 890](https://data.pdbj.org/pdbjplus/data/cc/svg/890.svg) | 890 | Name: | 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one | Formula: | C17 H16 N2 O3 | SMILES: | COc1ccc(cc1N)N(C)C2=CC(=O)Oc3ccccc23 | InChi: | InChI=1S/C17H16N2O3/c1-19(11-7-8-16(21-2)13(18)9-11)14-10-17(20)22-15-6-4-3-5-12(14)15/h3-10H,18H2,1-2H3 | Definition date: | 2017-05-18 | Last modified: | 2018-04-13 | Release date: | 2018-04-18 | Identifier: | 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one |
|
![QC1 QC1](https://data.pdbj.org/pdbjplus/data/cc/svg/QC1.svg) | QC1 | Name: | 3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid | Formula: | C13 H11 F N2 O2 | SMILES: | Fc1ccc(cc1)CNc2c(C(O)=O)ccnc2 | InChi: | InChI=1S/C13H11FN2O2/c14-10-3-1-9(2-4-10)7-16-12-8-15-6-5-11(12)13(17)18/h1-6,8,16H,7H2,(H,17,18) | Definition date: | 2018-02-22 | Last modified: | 2018-04-13 | Release date: | 2018-04-18 | Identifier: | 3-{[(4-fluorophenyl)methyl]amino}pyridine-4-carboxylic acid |
|