Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
BJN
BJN
表記:2-pyridin-3-ylethylazanium
組成式:C7 H11 N2
SMILES:[NH3+]CCc1cccnc1
InChi:InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2/p+1
定義日:2017-10-06
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:2-pyridin-3-ylethylazanium
BJQ
BJQ
表記:[(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium
組成式:C10 H14 N O2
SMILES:COC(=O)[CH]([NH3+])Cc1ccccc1
InChi:InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/p+1/t9-/m0/s1
定義日:2017-10-06
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:[(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium
CNK
CNK
表記:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
組成式:C18 H19 N3 O5
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3cccc4ccccc34
InChi:InChI=1S/C18H19N3O5/c22-8-12-13(23)14(24)15(25)16(26-12)18-19-17(20-21-18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-16,22-25H,8H2,(H,19,20,21)/t12-,13-,14+,15-,16-/m1/s1
定義日:2017-11-28
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
D03
D03
表記:(S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
組成式:C33 H36 N4 O5
SMILES:O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)C=Cc3ccccc3)C(=O)NCc4ccccc4
InChi:InChI=1S/C33H36N4O5/c38-29(17-16-23-10-4-1-5-11-23)36-28(20-24-12-6-2-7-13-24)32(41)37-27(21-26-18-19-34-31(26)40)30(39)33(42)35-22-25-14-8-3-9-15-25/h1-17,26-28,30,39H,18-22H2,(H,34,40)(H,35,42)(H,36,38)(H,37,41)/b17-16+/t26-,27-,28-,30-/m0/s1
定義日:2017-02-06
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(2~{S},3~{S})-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)-3-[[(2~{S})-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]butanamide
8QD
8QD
表記:(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol
組成式:C24 H33 N O
SMILES:c1ccncc1C=4C3(CCC5C2(CCC(O)CC2CCC5C3CC=4)C)C
InChi:InChI=1S/C24H33NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17-19,21-22,26H,5-6,8-12,14H2,1-2H3/t17-,18+,19-,21-,22-,23-,24+/m0/s1
定義日:2017-03-01
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol
8QH
8QH
表記:(4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
組成式:C20 H15 Cl2 N O3
SMILES:Cc1ccc(NC=C2C(=O)CCc3c2oc4c(Cl)c(Cl)c(O)cc34)cc1
InChi:InChI=1S/C20H15Cl2NO3/c1-10-2-4-11(5-3-10)23-9-14-15(24)7-6-12-13-8-16(25)17(21)18(22)20(13)26-19(12)14/h2-5,8-9,23,25H,6-7H2,1H3/b14-9+
定義日:2017-02-25
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one
8QK
8QK
表記:1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol
組成式:C20 H13 Cl2 N O4
SMILES:COc1ccc(cc1)N=Cc2c(O)ccc3c2oc4cc(Cl)c(O)c(Cl)c34
InChi:InChI=1S/C20H13Cl2NO4/c1-26-11-4-2-10(3-5-11)23-9-13-15(24)7-6-12-17-16(27-20(12)13)8-14(21)19(25)18(17)22/h2-9,24-25H,1H3/b23-9+
定義日:2017-02-25
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol
8QM
8QM
表記:4-cyclopropylbenzoic acid
組成式:C10 H10 O2
SMILES:C2(c1ccc(C(O)=O)cc1)CC2
InChi:InChI=1S/C10H10O2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2,(H,11,12)
定義日:2017-03-01
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:4-cyclopropylbenzoic acid
8S9
8S9
表記:3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid
組成式:C22 H13 Cl2 N O3
SMILES:OC(=O)c1cccc(c1)c2oc(c3ccccc3)c(n2)c4ccc(Cl)c(Cl)c4
InChi:InChI=1S/C22H13Cl2NO3/c23-17-10-9-14(12-18(17)24)19-20(13-5-2-1-3-6-13)28-21(25-19)15-7-4-8-16(11-15)22(26)27/h1-12H,(H,26,27)
定義日:2017-01-18
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid
AHK
AHK
表記:2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium
組成式:C24 H25 Cl N3
SMILES:CCc1ccccc1c2ccc(C[NH2+]CCc3[nH]c4ccccc4n3)cc2Cl
InChi:InChI=1S/C24H24ClN3/c1-2-18-7-3-4-8-19(18)20-12-11-17(15-21(20)25)16-26-14-13-24-27-22-9-5-6-10-23(22)28-24/h3-12,15,26H,2,13-14,16H2,1H3,(H,27,28)/p+1
定義日:2017-08-18
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium
AJK
AJK
表記:(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium
組成式:C19 H20 Cl N2
SMILES:Clc1cc(C[NH2+]CCc2[nH]ccc2)ccc1c3ccccc3
InChi:InChI=1S/C19H19ClN2/c20-19-13-15(14-21-12-10-17-7-4-11-22-17)8-9-18(19)16-5-2-1-3-6-16/h1-9,11,13,21-22H,10,12,14H2/p+1
定義日:2017-08-21
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium
8FZ
8FZ
表記:(5-pyridin-3-yloxyfuran-2-yl)methanamine
組成式:C10 H10 N2 O2
SMILES:NCc1oc(Oc2cccnc2)cc1
InChi:InChI=1S/C10H10N2O2/c11-6-8-3-4-10(13-8)14-9-2-1-5-12-7-9/h1-5,7H,6,11H2
定義日:2017-02-06
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(5-pyridin-3-yloxyfuran-2-yl)methanamine
8G2
8G2
表記:(4-methoxycarbonylphenyl)methylazanium
組成式:C9 H12 N O2
SMILES:COC(=O)c1ccc(C[NH3+])cc1
InChi:InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3/p+1
定義日:2017-02-06
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(4-methoxycarbonylphenyl)methylazanium
8G5
8G5
表記:(4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
組成式:C12 H16 N2 O2 S
SMILES:Nc1scc(n1)[CH]2CC(=O)OC23CCCCC3
InChi:InChI=1S/C12H16N2O2S/c13-11-14-9(7-17-11)8-6-10(15)16-12(8)4-2-1-3-5-12/h7-8H,1-6H2,(H2,13,14)/t8-/m1/s1
定義日:2017-02-06
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(4~{R})-4-(2-azanyl-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
8G8
8G8
表記:2-chloranyl-9-methyl-purine
組成式:C6 H5 Cl N4
SMILES:Cn1cnc2cnc(Cl)nc12
InChi:InChI=1S/C6H5ClN4/c1-11-3-9-4-2-8-6(7)10-5(4)11/h2-3H,1H3
定義日:2017-02-06
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:2-chloranyl-9-methyl-purine
8GB
8GB
表記:1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone
組成式:C9 H8 Cl2 O2
SMILES:CC(=O)c1cc(Cl)cc(CCl)c1O
InChi:InChI=1S/C9H8Cl2O2/c1-5(12)8-3-7(11)2-6(4-10)9(8)13/h2-3,13H,4H2,1H3
定義日:2017-02-06
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone
8J2
8J2
表記:propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
組成式:C24 H29 N3 O4
SMILES:CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(cc12)c3cccc(NC(C)=O)c3
InChi:InChI=1S/C24H29N3O4/c1-14(2)31-24(30)26-22-11-15(3)27(17(5)29)23-10-9-19(13-21(22)23)18-7-6-8-20(12-18)25-16(4)28/h6-10,12-15,22H,11H2,1-5H3,(H,25,28)(H,26,30)/t15-,22+/m0/s1
定義日:2017-02-08
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
8JT
8JT
表記:1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
組成式:C13 H18 N O2
SMILES:C1CCC(C1)[NH2+]Cc2ccc3OCOc3c2
InChi:InChI=1S/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2/p+1
定義日:2017-02-09
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
8JW
8JW
表記:3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one
組成式:C6 H5 F3 N2 O
SMILES:NC1=CC(=CNC1=O)C(F)(F)F
InChi:InChI=1S/C6H5F3N2O/c7-6(8,9)3-1-4(10)5(12)11-2-3/h1-2H,10H2,(H,11,12)
定義日:2017-02-09
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one
8K2
8K2
表記:5-chloranylthiophene-2-sulfonamide
組成式:C4 H4 Cl N O2 S2
SMILES:N[S](=O)(=O)c1sc(Cl)cc1
InChi:InChI=1S/C4H4ClNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
定義日:2017-02-09
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:5-chloranylthiophene-2-sulfonamide
8K5
8K5
表記:[azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium
組成式:C8 H10 Cl N2 S
SMILES:NC(=[NH2+])SCc1ccc(Cl)cc1
InChi:InChI=1S/C8H9ClN2S/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)/p+1
定義日:2017-02-09
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:[azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium
8KB
8KB
表記:(6~{R})-1,4-oxazepan-6-ol
組成式:C5 H11 N O2
SMILES:O[CH]1CNCCOC1
InChi:InChI=1S/C5H11NO2/c7-5-3-6-1-2-8-4-5/h5-7H,1-4H2/t5-/m1/s1
定義日:2017-02-09
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(6~{R})-1,4-oxazepan-6-ol
8LZ
8LZ
表記:(2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium
組成式:C12 H16 N O2
SMILES:C1C[NH2+][CH](C1)c2ccc3OCCOc3c2
InChi:InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2/p+1/t10-/m0/s1
定義日:2017-02-10
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium
8M2
8M2
表記:[azanyl(thiophen-3-yl)methylidene]azanium
組成式:C5 H7 N2 S
SMILES:NC(=[NH2+])c1cscc1
InChi:InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)/p+1
定義日:2017-02-10
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:[azanyl(thiophen-3-yl)methylidene]azanium
8M8
8M8
表記:3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile
組成式:C9 H8 N4 S
SMILES:Cc1c(C)c(sc1C#N)c2n[nH]cn2
InChi:InChI=1S/C9H8N4S/c1-5-6(2)8(14-7(5)3-10)9-11-4-12-13-9/h4H,1-2H3,(H,11,12,13)
定義日:2017-02-11
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile

224931

件を2024-09-11に公開中

PDB statisticsPDBj update infoContact PDBjnumon