![XMR XMR](https://data.pdbj.org/pdbjplus/data/cc/svg/XMR.svg) | XMR | Name: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol | Formula: | C15 H12 F N3 O2 | SMILES: | Fc1ccc(CNc2ncccc2c2cocn2)c(O)c1 | InChi: | InChI=1S/C15H12FN3O2/c16-11-4-3-10(14(20)6-11)7-18-15-12(2-1-5-17-15)13-8-21-9-19-13/h1-6,8-9,20H,7H2,(H,17,18) | Definition date: | 2022-11-29 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol |
|
![VQO VQO](https://data.pdbj.org/pdbjplus/data/cc/svg/VQO.svg) | VQO | Name: | methanimidate | Formula: | C H2 N O | SMILES: | [O-]C=N | InChi: | InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/p-1 | Definition date: | 2023-08-04 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | methanimidate |
|
![XMX XMX](https://data.pdbj.org/pdbjplus/data/cc/svg/XMX.svg) | XMX | Name: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol | Formula: | C15 H12 F N3 O2 | SMILES: | Fc1ccc(CNc2ncccc2c2ccon2)c(O)c1 | InChi: | InChI=1S/C15H12FN3O2/c16-11-4-3-10(14(20)8-11)9-18-15-12(2-1-6-17-15)13-5-7-21-19-13/h1-8,20H,9H2,(H,17,18) | Definition date: | 2022-11-29 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol |
|
![XN5 XN5](https://data.pdbj.org/pdbjplus/data/cc/svg/XN5.svg) | XN5 | Name: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol | Formula: | C15 H12 F N3 O S | SMILES: | Fc1ccc(CNc2ncccc2c2ccsn2)c(O)c1 | InChi: | InChI=1S/C15H12FN3OS/c16-11-4-3-10(14(20)8-11)9-18-15-12(2-1-6-17-15)13-5-7-21-19-13/h1-8,20H,9H2,(H,17,18) | Definition date: | 2022-11-29 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol |
|
![XN9 XN9](https://data.pdbj.org/pdbjplus/data/cc/svg/XN9.svg) | XN9 | Name: | 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol | Formula: | C14 H12 F N5 O | SMILES: | Fc1ccc(CNc2ncccc2c2nnc[NH]2)c(O)c1 | InChi: | InChI=1S/C14H12FN5O/c15-10-4-3-9(12(21)6-10)7-17-13-11(2-1-5-16-13)14-18-8-19-20-14/h1-6,8,21H,7H2,(H,16,17)(H,18,19,20) | Definition date: | 2022-11-29 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol |
|
![XNK XNK](https://data.pdbj.org/pdbjplus/data/cc/svg/XNK.svg) | XNK | Name: | 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol | Formula: | C14 H11 F N4 O2 | SMILES: | Fc1ccc(CNc2ncccc2c2ncon2)c(O)c1 | InChi: | InChI=1S/C14H11FN4O2/c15-10-4-3-9(12(20)6-10)7-17-13-11(2-1-5-16-13)14-18-8-21-19-14/h1-6,8,20H,7H2,(H,16,17) | Definition date: | 2022-11-29 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol |
|
![UHU UHU](https://data.pdbj.org/pdbjplus/data/cc/svg/UHU.svg) | UHU | Name: | (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol | Formula: | C6 H11 N O3 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH]2N[CH]12 | InChi: | InChI=1S/C6H11NO3/c8-1-2-3-4(7-3)6(10)5(2)9/h2-10H,1H2/t2-,3+,4+,5+,6+/m1/s1 | Definition date: | 2023-09-05 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol |
|
![UI5 UI5](https://data.pdbj.org/pdbjplus/data/cc/svg/UI5.svg) | UI5 | Name: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol | Formula: | C6 H13 N O3 | SMILES: | N[CH]1C[CH](O)[CH](O)[CH]1CO | InChi: | InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1 | Definition date: | 2023-09-05 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol |
|
![XOW XOW](https://data.pdbj.org/pdbjplus/data/cc/svg/XOW.svg) | XOW | Name: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol | Formula: | C15 H13 F N4 O | SMILES: | Fc1ccc(CNc2ncccc2c2ncc[NH]2)c(O)c1 | InChi: | InChI=1S/C15H13FN4O/c16-11-4-3-10(13(21)8-11)9-20-15-12(2-1-5-17-15)14-18-6-7-19-14/h1-8,21H,9H2,(H,17,20)(H,18,19) | Definition date: | 2022-12-03 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol |
|
![YOT YOT](https://data.pdbj.org/pdbjplus/data/cc/svg/YOT.svg) | YOT | Name: | (3S)-3-{5-[(1,2-benzoxazol-3-yl)amino]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-2,6-dione | Formula: | C20 H16 N4 O4 | SMILES: | O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)Nc1noc2ccccc21 | InChi: | InChI=1S/C20H16N4O4/c25-17-8-7-15(19(26)22-17)24-10-11-9-12(5-6-13(11)20(24)27)21-18-14-3-1-2-4-16(14)28-23-18/h1-6,9,15H,7-8,10H2,(H,21,23)(H,22,25,26)/t15-/m0/s1 | Definition date: | 2023-02-15 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (3S)-3-{5-[(1,2-benzoxazol-3-yl)amino]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}piperidine-2,6-dione |
|
![UJR UJR](https://data.pdbj.org/pdbjplus/data/cc/svg/UJR.svg) | UJR | Name: | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal | Formula: | C7 H8 I N3 O S | SMILES: | N[CH](CSc1ncc(I)cn1)C=O | InChi: | InChI=1S/C7H8IN3OS/c8-5-1-10-7(11-2-5)13-4-6(9)3-12/h1-3,6H,4,9H2/t6-/m1/s1 | Synonyms: | arylated cysteine | Definition date: | 2023-02-06 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal |
|
![XB2 XB2](https://data.pdbj.org/pdbjplus/data/cc/svg/XB2.svg) | XB2 | Name: | 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione | Formula: | C15 H19 N3 O2 | SMILES: | CC(C)N1C(=O)NC(=CC1=O)N[CH](C)c2ccccc2 | InChi: | InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1 | Definition date: | 2023-10-26 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione |
|
![XSE XSE](https://data.pdbj.org/pdbjplus/data/cc/svg/XSE.svg) | XSE | Name: | (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone | Formula: | C21 H18 F N7 O S | SMILES: | O=C(N1CCNCC1)c1ccc(nc1)Nc1ncc(F)c(n1)c1cc2ncsc2cc1 | InChi: | InChI=1S/C21H18FN7OS/c22-15-11-25-21(28-19(15)13-1-3-17-16(9-13)26-12-31-17)27-18-4-2-14(10-24-18)20(30)29-7-5-23-6-8-29/h1-4,9-12,23H,5-8H2,(H,24,25,27,28) | Definition date: | 2022-12-06 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone |
|
![YAE YAE](https://data.pdbj.org/pdbjplus/data/cc/svg/YAE.svg) | YAE | Name: | (E)-S-ethyl-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-homocysteine | Formula: | C14 H21 N2 O7 P S | SMILES: | Oc1c(/C=N/C(CCSCC)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C14H21N2O7PS/c1-3-25-5-4-12(14(18)19)16-7-11-10(8-23-24(20,21)22)6-15-9(2)13(11)17/h6-7,12,17H,3-5,8H2,1-2H3,(H,18,19)(H2,20,21,22) | Definition date: | 2023-11-29 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (E)-S-ethyl-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-homocysteine |
|
![YAR YAR](https://data.pdbj.org/pdbjplus/data/cc/svg/YAR.svg) | YAR | Name: | (2E)-4-(ethylsulfanyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}butanoic acid | Formula: | C14 H21 N2 O7 P S | SMILES: | O=C(O)C(CCSCC)=NC=C1/C(O)=C(C)NC=C1COP(=O)(O)O | InChi: | InChI=1S/C14H21N2O7PS/c1-3-25-5-4-12(14(18)19)16-7-11-10(8-23-24(20,21)22)6-15-9(2)13(11)17/h6-7,15,17H,3-5,8H2,1-2H3,(H,18,19)(H2,20,21,22)/b11-7-,16-12+ | Definition date: | 2023-11-29 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (2E)-4-(ethylsulfanyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}butanoic acid |
|
![V1O V1O](https://data.pdbj.org/pdbjplus/data/cc/svg/V1O.svg) | V1O | Name: | 5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol | Formula: | C17 H19 Br N2 O4 | SMILES: | COc1ccc(cc1O)N=Nc2cc(OC)c(CCBr)c(OC)c2 | InChi: | InChI=1S/C17H19BrN2O4/c1-22-15-5-4-11(8-14(15)21)19-20-12-9-16(23-2)13(6-7-18)17(10-12)24-3/h4-5,8-10,21H,6-7H2,1-3H3 | Definition date: | 2023-02-20 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol |
|
![XDF XDF](https://data.pdbj.org/pdbjplus/data/cc/svg/XDF.svg) | XDF | Name: | 6,8-dimethoxy-2-methylquinolin-4-amine | Formula: | C12 H14 N2 O2 | SMILES: | COc1cc(cc2c(N)cc(C)nc12)OC | InChi: | InChI=1S/C12H14N2O2/c1-7-4-10(13)9-5-8(15-2)6-11(16-3)12(9)14-7/h4-6H,1-3H3,(H2,13,14) | Definition date: | 2022-11-11 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 6,8-dimethoxy-2-methylquinolin-4-amine |
|
![VIZ VIZ](https://data.pdbj.org/pdbjplus/data/cc/svg/VIZ.svg) | VIZ | Name: | 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid | Formula: | C18 H16 N2 O6 S2 | SMILES: | ON1C(=CSC1=NC(=O)C[S](=O)(=O)Cc2ccc3ccccc3c2)CC(O)=O | InChi: | InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23)/b19-18- | Definition date: | 2023-07-27 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid |
|
![YDO YDO](https://data.pdbj.org/pdbjplus/data/cc/svg/YDO.svg) | YDO | Name: | 5'-deoxy-5'-(ethylsulfamamido)adenosine | Formula: | C12 H19 N7 O5 S | SMILES: | CCNS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C12H19N7O5S/c1-2-17-25(22,23)18-3-6-8(20)9(21)12(24-6)19-5-16-7-10(13)14-4-15-11(7)19/h4-6,8-9,12,17-18,20-21H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | Definition date: | 2023-12-01 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 5'-deoxy-5'-(ethylsulfamamido)adenosine |
|
![VJF VJF](https://data.pdbj.org/pdbjplus/data/cc/svg/VJF.svg) | VJF | Name: | 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid | Formula: | C14 H15 N3 O6 S2 | SMILES: | ON1C(=CSC1=NC(=O)CCN[S](=O)(=O)c2ccccc2)CC(O)=O | InChi: | InChI=1S/C14H15N3O6S2/c18-12(16-14-17(21)10(9-24-14)8-13(19)20)6-7-15-25(22,23)11-4-2-1-3-5-11/h1-5,9,15,21H,6-8H2,(H,19,20)/b16-14- | Definition date: | 2023-07-27 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid |
|
![VK6 VK6](https://data.pdbj.org/pdbjplus/data/cc/svg/VK6.svg) | VK6 | Name: | 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid | Formula: | C16 H17 N3 O6 S2 | SMILES: | ON1C(=CSC1=NC(=O)[CH]2CCN(C2)[S](=O)(=O)c3ccccc3)CC(O)=O | InChi: | InChI=1S/C16H17N3O6S2/c20-14(21)8-12-10-26-16(19(12)23)17-15(22)11-6-7-18(9-11)27(24,25)13-4-2-1-3-5-13/h1-5,10-11,23H,6-9H2,(H,20,21)/b17-16-/t11-/m1/s1 | Definition date: | 2023-07-27 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid |
|
![XHZ XHZ](https://data.pdbj.org/pdbjplus/data/cc/svg/XHZ.svg) | XHZ | Name: | 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde | Formula: | C13 H8 O2 | SMILES: | C#Cc1cc2ccc(O)c(C=O)c2cc1 | InChi: | InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H | Definition date: | 2023-06-06 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde |
|
![W2T W2T](https://data.pdbj.org/pdbjplus/data/cc/svg/W2T.svg) | W2T | Name: | (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide | Formula: | C26 H24 Cl F N4 O3 | SMILES: | Fc1ccc(cc1)C(C)NC(=O)c1cc2c(cc1)NC(=O)C/2=C/c1[NH]c(C)c(NC(=O)CCl)c1C | InChi: | InChI=1S/C26H24ClFN4O3/c1-13-22(29-15(3)24(13)32-23(33)12-27)11-20-19-10-17(6-9-21(19)31-26(20)35)25(34)30-14(2)16-4-7-18(28)8-5-16/h4-11,14,29H,12H2,1-3H3,(H,30,34)(H,31,35)(H,32,33)/b20-11-/t14-/m1/s1 | Definition date: | 2023-09-22 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide |
|
![W3F W3F](https://data.pdbj.org/pdbjplus/data/cc/svg/W3F.svg) | W3F | Name: | (3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide | Formula: | C30 H27 F N4 O5 | SMILES: | O=C(Nc1c(C)c(/C=C2/c3cc(ccc3NC2=O)C(=O)NC(C)c2ccc(F)cc2)[NH]c1C)C(O)c1ccco1 | InChi: | InChI=1S/C30H27FN4O5/c1-15-24(32-17(3)26(15)35-30(39)27(36)25-5-4-12-40-25)14-22-21-13-19(8-11-23(21)34-29(22)38)28(37)33-16(2)18-6-9-20(31)10-7-18/h4-14,16,27,32,36H,1-3H3,(H,33,37)(H,34,38)(H,35,39)/b22-14-/t16-,27+/m1/s1 | Definition date: | 2023-09-22 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | (3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide |
|
![J7D J7D](https://data.pdbj.org/pdbjplus/data/cc/svg/J7D.svg) | J7D | Name: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol | Formula: | C6 H14 N O9 P | SMILES: | OP(OCC(O)C(C(O)CN(O)C=O)O)(=O)O | InChi: | InChI=1S/C6H14NO9P/c8-3-7(12)1-4(9)6(11)5(10)2-16-17(13,14)15/h3-6,9-12H,1-2H2,(H2,13,14,15)/t4-,5+,6-/m0/s1 | Definition date: | 2018-08-20 | Last modified: | 2023-12-08 | Release date: | 2023-12-13 | Identifier: | 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol |
|