![DD4 DD4](https://data.pdbj.org/pdbjplus/data/cc/svg/DD4.svg) | DD4 | Name: | (3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol | Formula: | C13 H14 F N3 O2 | SMILES: | c1(cc(F)c(C)cc1)c2noc(n2)C3NCC(C3)O | InChi: | InChI=1S/C13H14FN3O2/c1-7-2-3-8(4-10(7)14)12-16-13(19-17-12)11-5-9(18)6-15-11/h2-4,9,11,15,18H,5-6H2,1H3/t9-,11-/m1/s1 | Definition date: | 2017-10-23 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol |
|
![DD7 DD7](https://data.pdbj.org/pdbjplus/data/cc/svg/DD7.svg) | DD7 | Name: | (1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol | Formula: | C19 H21 N O3 S | SMILES: | c1ccccc1CNC3C2OC(OC2)C(C3O)Sc4ccccc4 | InChi: | InChI=1S/C19H21NO3S/c21-17-16(20-11-13-7-3-1-4-8-13)15-12-22-19(23-15)18(17)24-14-9-5-2-6-10-14/h1-10,15-21H,11-12H2/t15-,16-,17+,18-,19-/m1/s1 | Definition date: | 2017-10-23 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name) |
|
![DDV DDV](https://data.pdbj.org/pdbjplus/data/cc/svg/DDV.svg) | DDV | Name: | (1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol | Formula: | C16 H21 N O3 S | SMILES: | c1ccccc1SC2C4OC(C(C2O)NCC3CC3)CO4 | InChi: | InChI=1S/C16H21NO3S/c18-14-13(17-8-10-6-7-10)12-9-19-16(20-12)15(14)21-11-4-2-1-3-5-11/h1-5,10,12-18H,6-9H2/t12-,13-,14+,15-,16-/m1/s1 | Definition date: | 2017-10-23 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | (1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name) |
|
![T91 T91](https://data.pdbj.org/pdbjplus/data/cc/svg/T91.svg) | T91 | Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide | Formula: | C14 H19 N3 O | SMILES: | n1c(CCNC(C(C)(C)C)=O)nc2c1cccc2 | InChi: | InChI=1S/C14H19N3O/c1-14(2,3)13(18)15-9-8-12-16-10-6-4-5-7-11(10)17-12/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17) | Definition date: | 2020-03-16 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide |
|
![U2Y U2Y](https://data.pdbj.org/pdbjplus/data/cc/svg/U2Y.svg) | U2Y | Name: | {4-[ethyl(methyl)carbamoyl]phenyl}boronic acid | Formula: | C10 H14 B N O3 | SMILES: | N(C)(CC)C(=O)c1ccc(B(O)O)cc1 | InChi: | InChI=1S/C10H14BNO3/c1-3-12(2)10(13)8-4-6-9(7-5-8)11(14)15/h4-7,14-15H,3H2,1-2H3 | Definition date: | 2020-04-10 | Last modified: | 2020-04-17 | Release date: | 2020-04-22 | Identifier: | {4-[ethyl(methyl)carbamoyl]phenyl}boronic acid |
|
![G2Y G2Y](https://data.pdbj.org/pdbjplus/data/cc/svg/G2Y.svg) | G2Y | Name: | 1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside | Formula: | C12 H19 Cl3 O8 | SMILES: | C2(C(C(O)C(OC1(OC(C(O)C1O)CCl)CCl)OC2CO)O)Cl | InChi: | InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5+,6-,7+,8-,9+,10-,11-,12-/m0/s1 | Definition date: | 2018-05-03 | Last modified: | 2020-04-16 | Release date: | 2018-08-08 | Identifier: | 1,6-dichloro-1,6-dideoxy-alpha-L-sorbofuranosyl 4-chloro-4-deoxy-beta-D-galactopyranoside |
|
![GNA GNA](https://data.pdbj.org/pdbjplus/data/cc/svg/GNA.svg) | GNA | Name: | 2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEURAMINIC ACID | Formula: | C12 H22 N4 O7 | SMILES: | O=C(O)C1OC(C(O)C(O)CO)C(NC(=O)C)C(NC(=[N@H])N)C1 | InChi: | InChI=1S/C12H22N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h5-10,17,19-20H,2-3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,7+,8+,9+,10+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2020-04-13 | Identifier: | 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-erythro-L-manno-nononic acid |
|
![EDJ EDJ](https://data.pdbj.org/pdbjplus/data/cc/svg/EDJ.svg) | EDJ | Name: | 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid | Formula: | C21 H21 Br N4 O5 | SMILES: | c1(c(Br)cnc(n1)Nc2cc(OC)c(OC)c(OC)c2)Oc3ccccc3/C(O)=N/C | InChi: | InChI=1S/C21H21BrN4O5/c1-23-19(27)13-7-5-6-8-15(13)31-20-14(22)11-24-21(26-20)25-12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,23,27)(H,24,25,26) | Definition date: | 2018-01-02 | Last modified: | 2020-04-13 | Release date: | 2018-05-09 | Identifier: | 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid |
|
![NT2 NT2](https://data.pdbj.org/pdbjplus/data/cc/svg/NT2.svg) | NT2 | Name: | 2,3,4,6-TETRA-O-SULFOHEXOPYRANOSE | Formula: | C6 H12 O18 S4 | SMILES: | O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O | InChi: | InChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1 | Definition date: | 2004-04-20 | Last modified: | 2020-04-13 | Identifier: | 2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranose |
|
![5KU 5KU](https://data.pdbj.org/pdbjplus/data/cc/svg/5KU.svg) | 5KU | Name: | (6R)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11R,12S)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-D-threo-hex-2-enonic acid | Formula: | C18 H31 N5 O10 | SMILES: | COCCOCCNC(=O)OC(C1C(C(N=C(N)N)C=C(O1)C(O)=O)NC(=O)C)C(CO)O | InChi: | InChI=1S/C18H31N5O10/c1-9(25)22-13-10(23-17(19)20)7-12(16(27)28)32-15(13)14(11(26)8-24)33-18(29)21-3-4-31-6-5-30-2/h7,10-11,13-15,24,26H,3-6,8H2,1-2H3,(H,21,29)(H,22,25)(H,27,28)(H4,19,20,23)/t10-,11+,13+,14-,15-/m1/s1 | Definition date: | 2015-10-15 | Last modified: | 2020-04-12 | Release date: | 2016-03-02 | Identifier: | (6R)-5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylidene)amino]-6-[(11R,12S)-12,13-dihydroxy-9-oxo-2,5,10-trioxa-8-azatridecan-11-yl]-D-threo-hex-2-enonic acid |
|
![WMH WMH](https://data.pdbj.org/pdbjplus/data/cc/svg/WMH.svg) | WMH | Name: | 1-methyl-1H-1,2,3-triazole | Formula: | C3 H5 N3 | SMILES: | n1(nncc1)C | InChi: | InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3 | Definition date: | 2019-08-23 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 1-methyl-1H-1,2,3-triazole |
|
![L1Q L1Q](https://data.pdbj.org/pdbjplus/data/cc/svg/L1Q.svg) | L1Q | Name: | 2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide | Formula: | C9 H9 F4 N O2 S | SMILES: | CCCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O | InChi: | InChI=1S/C9H9F4NO2S/c1-2-3-4-5(10)7(12)9(17(14,15)16)8(13)6(4)11/h2-3H2,1H3,(H2,14,15,16) | Definition date: | 2019-07-13 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide |
|
![L2K L2K](https://data.pdbj.org/pdbjplus/data/cc/svg/L2K.svg) | L2K | Name: | 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine | Formula: | C11 H10 F2 N4 | SMILES: | Fc1ccc(cc1F)C2=NNC3=NCCN3C2 | InChi: | InChI=1S/C11H10F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-2,5H,3-4,6H2,(H,14,16) | Definition date: | 2019-07-16 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine |
|
![L3Q L3Q](https://data.pdbj.org/pdbjplus/data/cc/svg/L3Q.svg) | L3Q | Name: | (8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one | Formula: | C6 H10 N2 O2 | SMILES: | O=C1OC[CH]2CNCCN12 | InChi: | InChI=1S/C6H10N2O2/c9-6-8-2-1-7-3-5(8)4-10-6/h5,7H,1-4H2/t5-/m0/s1 | Definition date: | 2019-07-18 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | (8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one |
|
![L7T L7T](https://data.pdbj.org/pdbjplus/data/cc/svg/L7T.svg) | L7T | Name: | 2,3,4,5,6-pentafluorobenzenesulfonamide | Formula: | C6 H2 F5 N O2 S | SMILES: | N[S](=O)(=O)c1c(F)c(F)c(F)c(F)c1F | InChi: | InChI=1S/C6H2F5NO2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H2,12,13,14) | Definition date: | 2019-07-26 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonamide |
|
![L9Z L9Z](https://data.pdbj.org/pdbjplus/data/cc/svg/L9Z.svg) | L9Z | Name: | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid | Formula: | C8 H15 N O5 | SMILES: | NC[C]1(O)C[CH](C[CH](O)[CH]1O)C(O)=O | InChi: | InChI=1S/C8H15NO5/c9-3-8(14)2-4(7(12)13)1-5(10)6(8)11/h4-6,10-11,14H,1-3,9H2,(H,12,13)/t4-,5+,6-,8-/m0/s1 | Definition date: | 2019-08-01 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid |
|
![JUT JUT](https://data.pdbj.org/pdbjplus/data/cc/svg/JUT.svg) | JUT | Name: | 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine | Formula: | C9 H6 F2 N2 S | SMILES: | Nc1scc(n1)c2ccc(F)c(F)c2 | InChi: | InChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13) | Definition date: | 2019-04-02 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine |
|
![K5W K5W](https://data.pdbj.org/pdbjplus/data/cc/svg/K5W.svg) | K5W | Name: | 2,3-bis(fluoranyl)benzenesulfonamide | Formula: | C6 H5 F2 N O2 S | SMILES: | N[S](=O)(=O)c1cccc(F)c1F | InChi: | InChI=1S/C6H5F2NO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H2,9,10,11) | Definition date: | 2019-04-29 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 2,3-bis(fluoranyl)benzenesulfonamide |
|
![KB5 KB5](https://data.pdbj.org/pdbjplus/data/cc/svg/KB5.svg) | KB5 | Name: | 6-azanyl-9~{H}-purine-8-thiol | Formula: | C5 H5 N5 S | SMILES: | Nc1ncnc2[nH]c(S)nc12 | InChi: | InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11) | Definition date: | 2019-05-09 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 6-azanyl-9~{H}-purine-8-thiol |
|
![KBB KBB](https://data.pdbj.org/pdbjplus/data/cc/svg/KBB.svg) | KBB | Name: | 2,5-bis(fluoranyl)benzenesulfonamide | Formula: | C6 H5 F2 N O2 S | SMILES: | N[S](=O)(=O)c1cc(F)ccc1F | InChi: | InChI=1S/C6H5F2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11) | Definition date: | 2019-05-09 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 2,5-bis(fluoranyl)benzenesulfonamide |
|
![KBN KBN](https://data.pdbj.org/pdbjplus/data/cc/svg/KBN.svg) | KBN | Name: | 2-(trifluoromethyl)-9~{H}-purine-6-thiol | Formula: | C6 H3 F3 N4 S | SMILES: | FC(F)(F)c1nc(S)c2nc[nH]c2n1 | InChi: | InChI=1S/C6H3F3N4S/c7-6(8,9)5-12-3-2(4(14)13-5)10-1-11-3/h1H,(H2,10,11,12,13,14) | Definition date: | 2019-05-10 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 2-(trifluoromethyl)-9~{H}-purine-6-thiol |
|
![KBZ KBZ](https://data.pdbj.org/pdbjplus/data/cc/svg/KBZ.svg) | KBZ | Name: | 4-cyanobenzenesulfonamide | Formula: | C7 H6 N2 O2 S | SMILES: | N[S](=O)(=O)c1ccc(cc1)C#N | InChi: | InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11) | Definition date: | 2019-05-10 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 4-cyanobenzenesulfonamide |
|
![KD8 KD8](https://data.pdbj.org/pdbjplus/data/cc/svg/KD8.svg) | KD8 | Name: | 6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one | Formula: | C8 H8 N4 O S | SMILES: | Cc1nc2NC(=S)NC(=O)c2nc1C | InChi: | InChI=1S/C8H8N4OS/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14) | Definition date: | 2019-05-14 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one |
|
![KFH KFH](https://data.pdbj.org/pdbjplus/data/cc/svg/KFH.svg) | KFH | Name: | 2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide | Formula: | C6 H3 F4 N O2 S | SMILES: | N[S](=O)(=O)c1c(F)c(F)cc(F)c1F | InChi: | InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13) | Definition date: | 2019-05-20 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide |
|
![KGK KGK](https://data.pdbj.org/pdbjplus/data/cc/svg/KGK.svg) | KGK | Name: | 2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide | Formula: | C7 H5 F4 N O2 S | SMILES: | Cc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O | InChi: | InChI=1S/C7H5F4NO2S/c1-2-3(8)5(10)7(15(12,13)14)6(11)4(2)9/h1H3,(H2,12,13,14) | Definition date: | 2019-05-21 | Last modified: | 2020-04-10 | Release date: | 2020-04-15 | Identifier: | 2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide |
|