![WG1 WG1](https://data.pdbj.org/pdbjplus/data/cc/svg/WG1.svg) | WG1 | Name: | 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one | Formula: | C20 H27 F2 N5 O4 S | SMILES: | c2nc(NC1CCN(CC1)S(C)(=O)=O)nc3c2C=C(C(N3C4CCCC4(C)O)=O)C(F)F | InChi: | InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1 | Definition date: | 2020-10-27 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one |
|
![V41 V41](https://data.pdbj.org/pdbjplus/data/cc/svg/V41.svg) | V41 | Name: | (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide | Formula: | C9 H11 N5 O | SMILES: | N(=N/C(C(N)=O)/C(N)=N)c1ccccc1 | InChi: | InChI=1S/C9H11N5O/c10-8(11)7(9(12)15)14-13-6-4-2-1-3-5-6/h1-5,7H,(H3,10,11)(H2,12,15)/b14-13+/t7-/m1/s1 | Definition date: | 2020-06-22 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide |
|
![XEA XEA](https://data.pdbj.org/pdbjplus/data/cc/svg/XEA.svg) | XEA | Name: | (3R)-1,2-oxazolidine-3-carbonitrile | Formula: | C4 H6 N2 O | SMILES: | N#CC1NOCC1 | InChi: | InChI=1S/C4H6N2O/c5-3-4-1-2-7-6-4/h4,6H,1-2H2 | Definition date: | 2020-12-14 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (3R)-1,2-oxazolidine-3-carbonitrile |
|
![XEJ XEJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XEJ.svg) | XEJ | Name: | (3R)-3-aminobutanamide | Formula: | C4 H10 N2 O | SMILES: | CC(N)CC(N)=O | InChi: | InChI=1S/C4H10N2O/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1 | Definition date: | 2020-12-14 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (3R)-3-aminobutanamide |
|
![YV4 YV4](https://data.pdbj.org/pdbjplus/data/cc/svg/YV4.svg) | YV4 | Name: | (3S)-3-aminopyrrolidin-2-one | Formula: | C4 H8 N2 O | SMILES: | O=C1NCCC1N | InChi: | InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1 | Definition date: | 2021-04-01 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (3S)-3-aminopyrrolidin-2-one |
|
![XGJ XGJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XGJ.svg) | XGJ | Name: | (3S)-1,2,4-triazolidin-3-amine | Formula: | C2 H8 N4 | SMILES: | NC1NNCN1 | InChi: | InChI=1S/C2H8N4/c3-2-4-1-5-6-2/h2,4-6H,1,3H2/t2-/m1/s1 | Definition date: | 2020-12-16 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (3S)-1,2,4-triazolidin-3-amine |
|
![XGY XGY](https://data.pdbj.org/pdbjplus/data/cc/svg/XGY.svg) | XGY | Name: | (4S)-1-methylimidazolidin-4-amine | Formula: | C4 H11 N3 | SMILES: | CN1CC(NC1)N | InChi: | InChI=1S/C4H11N3/c1-7-2-4(5)6-3-7/h4,6H,2-3,5H2,1H3/t4-/m0/s1 | Definition date: | 2020-12-16 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (4S)-1-methylimidazolidin-4-amine |
|
![XH1 XH1](https://data.pdbj.org/pdbjplus/data/cc/svg/XH1.svg) | XH1 | Name: | N-propan-2-ylurea | Formula: | C4 H10 N2 O | SMILES: | CC(C)NC(N)=O | InChi: | InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7) | Definition date: | 2020-12-16 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | N-propan-2-ylurea |
|
![XH4 XH4](https://data.pdbj.org/pdbjplus/data/cc/svg/XH4.svg) | XH4 | Name: | [(3R)-pyrazolidin-3-yl]methanol | Formula: | C4 H10 N2 O | SMILES: | OCC1NNCC1 | InChi: | InChI=1S/C4H10N2O/c7-3-4-1-2-5-6-4/h4-7H,1-3H2/t4-/m1/s1 | Definition date: | 2020-12-16 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | [(3R)-pyrazolidin-3-yl]methanol |
|
![XH7 XH7](https://data.pdbj.org/pdbjplus/data/cc/svg/XH7.svg) | XH7 | Name: | (3R)-thiolane-3-carboxylic acid | Formula: | C5 H8 O2 S | SMILES: | O=C(O)C1CSCC1 | InChi: | InChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1 | Definition date: | 2020-12-16 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (3R)-thiolane-3-carboxylic acid |
|
![XHD XHD](https://data.pdbj.org/pdbjplus/data/cc/svg/XHD.svg) | XHD | Name: | 2-cyanoacetamide | Formula: | C3 H4 N2 O | SMILES: | N#CCC(N)=O | InChi: | InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6) | Definition date: | 2020-12-16 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 2-cyanoacetamide |
|
![XHG XHG](https://data.pdbj.org/pdbjplus/data/cc/svg/XHG.svg) | XHG | Name: | 1-[(2R)-oxolan-2-yl]methanamine | Formula: | C5 H11 N O | SMILES: | NCC1OCCC1 | InChi: | InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2 | Definition date: | 2020-12-16 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 1-[(2R)-oxolan-2-yl]methanamine |
|
![XHJ XHJ](https://data.pdbj.org/pdbjplus/data/cc/svg/XHJ.svg) | XHJ | Name: | (3S)-pyrazolidin-3-amine | Formula: | C3 H9 N3 | SMILES: | NC1NNCC1 | InChi: | InChI=1S/C3H9N3/c4-3-1-2-5-6-3/h3,5-6H,1-2,4H2/t3-/m0/s1 | Definition date: | 2020-12-16 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (3S)-pyrazolidin-3-amine |
|
![XZM XZM](https://data.pdbj.org/pdbjplus/data/cc/svg/XZM.svg) | XZM | Name: | N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide | Formula: | C42 H40 F3 N7 O7 S5 | SMILES: | N1(Cc2c(CC1)cccc2C(=O)Nc4nc3c(cccc3)s4)c8scc(C(NS(c5cc(S(=O)(C(F)(F)F)=O)c(cc5)NC(CCN6CCOCC6)CSc7ccccc7)(=O)=O)=O)n8 | InChi: | InChI=1S/C42H40F3N7O7S5/c43-42(44,45)63(55,56)37-23-30(13-14-34(37)46-28(16-17-51-19-21-59-22-20-51)25-60-29-8-2-1-3-9-29)64(57,58)50-39(54)35-26-61-41(48-35)52-18-15-27-7-6-10-31(32(27)24-52)38(53)49-40-47-33-11-4-5-12-36(33)62-40/h1-14,23,26,28,46H,15-22,24-25H2,(H,50,54)(H,47,49,53)/t28-/m1/s1 | Definition date: | 2021-01-22 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide |
|
![YXA YXA](https://data.pdbj.org/pdbjplus/data/cc/svg/YXA.svg) | YXA | Name: | 5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid | Formula: | C15 H12 Br N O3 | SMILES: | OC(=O)c1cc(Cn2ccc3ccc(Br)cc32)oc1C | InChi: | InChI=1S/C15H12BrNO3/c1-9-13(15(18)19)7-12(20-9)8-17-5-4-10-2-3-11(16)6-14(10)17/h2-7H,8H2,1H3,(H,18,19) | Definition date: | 2021-04-05 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid |
|
![XJP XJP](https://data.pdbj.org/pdbjplus/data/cc/svg/XJP.svg) | XJP | Name: | (2S,4R)-1,3-thiazolidine-2,4-diamine | Formula: | C3 H9 N3 S | SMILES: | NC1NC(SC1)N | InChi: | InChI=1S/C3H9N3S/c4-2-1-7-3(5)6-2/h2-3,6H,1,4-5H2/t2-,3+/m1/s1 | Definition date: | 2020-12-17 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (2S,4R)-1,3-thiazolidine-2,4-diamine |
|
![XK1 XK1](https://data.pdbj.org/pdbjplus/data/cc/svg/XK1.svg) | XK1 | Name: | 1-[(4R)-1,3-oxazolidin-4-yl]methanamine | Formula: | C4 H10 N2 O | SMILES: | NCC1NCOC1 | InChi: | InChI=1S/C4H10N2O/c5-1-4-2-7-3-6-4/h4,6H,1-3,5H2/t4-/m1/s1 | Definition date: | 2020-12-17 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 1-[(4R)-1,3-oxazolidin-4-yl]methanamine |
|
![XK4 XK4](https://data.pdbj.org/pdbjplus/data/cc/svg/XK4.svg) | XK4 | Name: | (3R)-1,2-oxazolidin-3-amine | Formula: | C3 H8 N2 O | SMILES: | NC1NOCC1 | InChi: | InChI=1S/C3H8N2O/c4-3-1-2-6-5-3/h3,5H,1-2,4H2/t3-/m1/s1 | Definition date: | 2020-12-17 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (3R)-1,2-oxazolidin-3-amine |
|
![XK7 XK7](https://data.pdbj.org/pdbjplus/data/cc/svg/XK7.svg) | XK7 | Name: | 1-aminocyclopropane-1-carboxamide | Formula: | C4 H8 N2 O | SMILES: | NC(=O)C1(CC1)N | InChi: | InChI=1S/C4H8N2O/c5-3(7)4(6)1-2-4/h1-2,6H2,(H2,5,7) | Definition date: | 2020-12-17 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 1-aminocyclopropane-1-carboxamide |
|
![XKD XKD](https://data.pdbj.org/pdbjplus/data/cc/svg/XKD.svg) | XKD | Name: | N-methyl-D-alaninamide | Formula: | C4 H10 N2 O | SMILES: | CNC(=O)C(C)N | InChi: | InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m1/s1 | Definition date: | 2020-12-17 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | N-methyl-D-alaninamide |
|
![XKV XKV](https://data.pdbj.org/pdbjplus/data/cc/svg/XKV.svg) | XKV | Name: | (2R)-2-aminobutanamide | Formula: | C4 H10 N2 O | SMILES: | CCC(N)C(N)=O | InChi: | InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7) | Definition date: | 2020-12-18 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (2R)-2-aminobutanamide |
|
![XKY XKY](https://data.pdbj.org/pdbjplus/data/cc/svg/XKY.svg) | XKY | Name: | (4S)-imidazolidine-4-carbonitrile | Formula: | C4 H7 N3 | SMILES: | N#CC1NCNC1 | InChi: | InChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h4,6-7H,2-3H2 | Definition date: | 2020-12-18 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (4S)-imidazolidine-4-carbonitrile |
|
![Y36 Y36](https://data.pdbj.org/pdbjplus/data/cc/svg/Y36.svg) | Y36 | Name: | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide | Formula: | C29 H30 N6 O3 S | SMILES: | c2(cc(C1=CN(C(C(=C1)NC)=O)C)cc3c2ccn3C(c4ncccc4)(c5ncccc5)C)NS(CC)(=O)=O | InChi: | InChI=1S/C29H30N6O3S/c1-5-39(37,38)33-23-16-20(21-17-24(30-3)28(36)34(4)19-21)18-25-22(23)12-15-35(25)29(2,26-10-6-8-13-31-26)27-11-7-9-14-32-27/h6-19,30,33H,5H2,1-4H3 | Definition date: | 2020-07-30 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide |
|
![WAM WAM](https://data.pdbj.org/pdbjplus/data/cc/svg/WAM.svg) | WAM | Name: | 2-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1-methyl-quinoline-4-carboxamide | Formula: | C20 H19 N2 O3 | SMILES: | C[n+]1c(cc(c2c1cccc2)C(=O)N)[C@H]=[C@H]c3cc(OC)c(cc3)O | InChi: | InChI=1S/C20H18N2O3/c1-22-14(9-7-13-8-10-18(23)19(11-13)25-2)12-16(20(21)24)15-5-3-4-6-17(15)22/h3-12H,1-2H3,(H2,21,24)/p+1 | Definition date: | 2020-10-05 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | 4-carbamoyl-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium |
|
![WBJ WBJ](https://data.pdbj.org/pdbjplus/data/cc/svg/WBJ.svg) | WBJ | Name: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid | Formula: | C12 H15 N2 O7 P | SMILES: | Cc1c(c(C/N=C(/C(O)=O)C=C)c(COP(O)(O)=O)cn1)O | InChi: | InChI=1S/C12H15N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-4,15H,1,5-6H2,2H3,(H,16,17)(H2,18,19,20)/b14-10+ | Definition date: | 2020-10-08 | Last modified: | 2021-06-18 | Release date: | 2021-06-23 | Identifier: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid |
|