Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
A1A1F
A1A1F
表記:(4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1S,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-2,13-dioxabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name)
組成式:C25 H42 N2 O7
SMILES:CC(C)CC1CC2CNC(C2OCC1)C(=O)NC1C2OC(OCCC=CC1C)C(O)C(O)C2O
InChi:InChI=1S/C25H42N2O7/c1-13(2)10-15-7-9-32-22-16(11-15)12-26-18(22)24(31)27-17-14(3)6-4-5-8-33-25-21(30)19(28)20(29)23(17)34-25/h4,6,13-23,25-26,28-30H,5,7-12H2,1-3H3,(H,27,31)/b6-4-/t14-,15+,16+,17-,18+,19+,20-,21-,22-,23-,25+/m1/s1
定義日:2024-08-08
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:(4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1S,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-2,13-dioxabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name)
A1AIU
A1AIU
表記:1-([1,1'-biphenyl]-4-yl)-2-(2H-tetrazol-5-yl)ethan-1-one
組成式:C15 H12 N4 O
SMILES:O=C(Cc1n[NH]nn1)c1ccc(cc1)c1ccccc1
InChi:InChI=1S/C15H12N4O/c20-14(10-15-16-18-19-17-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17,18,19)
定義日:2024-03-25
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:1-([1,1'-biphenyl]-4-yl)-2-(2H-tetrazol-5-yl)ethan-1-one
A1AIZ
A1AIZ
表記:(1r,4r)-N-[4-(4-{[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy}phenoxy)butyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
組成式:C32 H32 F3 N O5 S
SMILES:FC(F)(F)C1CCC(CC1)C(=O)NCCCCOc1ccc(cc1)Oc1c2ccc(O)cc2sc1c1ccc(O)cc1
InChi:InChI=1S/C32H32F3NO5S/c33-32(34,35)22-7-3-21(4-8-22)31(39)36-17-1-2-18-40-25-12-14-26(15-13-25)41-29-27-16-11-24(38)19-28(27)42-30(29)20-5-9-23(37)10-6-20/h5-6,9-16,19,21-22,37-38H,1-4,7-8,17-18H2,(H,36,39)/t21-,22-
定義日:2024-03-27
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:(1r,4r)-N-[4-(4-{[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy}phenoxy)butyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
A1APB
A1APB
表記:2-O-sulfo-beta-D-galactopyranose
組成式:C6 H12 O9 S
SMILES:OC1OC(CO)C(O)C(O)C1OS(=O)(=O)O
InChi:InChI=1S/C6H12O9S/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
定義日:2024-04-20
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:2-O-sulfo-beta-D-galactopyranose
A1BNQ
A1BNQ
表記:acetoacetyl group
組成式:C4 H6 O2
SMILES:CC(=O)CC=O
InChi:InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3
定義日:2025-01-07
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:3-oxobutanal
A1ED4
A1ED4
表記:3H-benzimidazol-5-ylmethanol
組成式:C8 H8 N2 O
SMILES:OCc1ccc2nc[nH]c2c1
InChi:InChI=1S/C8H8N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-3,5,11H,4H2,(H,9,10)
別名:1H-benzimidazol-5-ylmethanol
定義日:2024-10-17
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:3~{H}-benzimidazol-5-ylmethanol
A1ED7
A1ED7
表記:1,3,4-thiadiazol-2-amine
組成式:C2 H3 N3 S
SMILES:Nc1scnn1
InChi:InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)
別名:Aminothiadiazole
定義日:2024-10-18
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:1,3,4-thiadiazol-2-amine
A1ED8
A1ED8
表記:2-(4-hydroxyphenyl)ethanamide
組成式:C8 H9 N O2
SMILES:NC(=O)Cc1ccc(O)cc1
InChi:InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
別名:4-Hydroxyphenylacetamide
定義日:2024-10-18
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:2-(4-hydroxyphenyl)ethanamide
A1ED9
A1ED9
表記:1-(1H-pyrrol-3-yl)ethanone
組成式:C6 H7 N O
SMILES:CC(=O)c1c[nH]cc1
InChi:InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3
別名:3-Acetylpyrrole
定義日:2024-10-18
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:1-(1~{H}-pyrrol-3-yl)ethanone
A1EDY
A1EDY
表記:2-(4-aminophenyl)ethanoic acid
組成式:C8 H9 N O2
SMILES:Nc1ccc(CC(O)=O)cc1
InChi:InChI=1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
別名:4-Aminophenylacetic acid
定義日:2024-10-17
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:2-(4-aminophenyl)ethanoic acid
A1EDZ
A1EDZ
表記:4-oxidanylidene-4-thiophen-2-yl-butanoic acid
組成式:C8 H8 O3 S
SMILES:OC(=O)CCC(=O)c1sccc1
InChi:InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
別名:3-(2-Thenoyl)propionic acid
定義日:2024-10-17
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:4-oxidanylidene-4-thiophen-2-yl-butanoic acid
A1EEA
A1EEA
表記:1,3-dimethylimidazolidin-2-one
組成式:C5 H10 N2 O
SMILES:CN1CCN(C)C1=O
InChi:InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
別名:1,3-Dimethyl-2-imidazolidinone
定義日:2024-10-18
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:1,3-dimethylimidazolidin-2-one
A1EFA
A1EFA
表記:6-Quinolinylmethanol
組成式:C10 H9 N O
SMILES:OCc1ccc2ncccc2c1
InChi:InChI=1S/C10H9NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-6,12H,7H2
定義日:2024-11-08
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:quinolin-6-ylmethanol
A1EFB
A1EFB
表記:3-(4-methylpiperazin-1-yl)aniline
組成式:C11 H17 N3
SMILES:CN1CCN(CC1)c2cccc(N)c2
InChi:InChI=1S/C11H17N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3
別名:148546-99-0
定義日:2024-11-08
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:3-(4-methylpiperazin-1-yl)aniline
A1EFE
A1EFE
表記:2,1,3-benzothiadiazol-5-ylmethanol
組成式:C7 H6 N2 O S
SMILES:OCc1ccc2nsnc2c1
InChi:InChI=1S/C7H6N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-3,10H,4H2
別名:89795-51-7
定義日:2024-11-08
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:2,1,3-benzothiadiazol-5-ylmethanol
A1EFF
A1EFF
表記:(2,5-dimethylpyrazol-3-yl)methanol
組成式:C6 H10 N2 O
SMILES:Cn1nc(C)cc1CO
InChi:InChI=1S/C6H10N2O/c1-5-3-6(4-9)8(2)7-5/h3,9H,4H2,1-2H3
別名:57012-20-1
定義日:2024-11-08
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:(2,5-dimethylpyrazol-3-yl)methanol
A1EHQ
A1EHQ
表記:2-phenoxyethanamine
組成式:C8 H11 N O
SMILES:NCCOc1ccccc1
InChi:InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
定義日:2024-12-11
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:2-phenoxyethanamine
A1EHR
A1EHR
表記:5-methyl-1,2-oxazole-3-carbohydrazide
組成式:C5 H7 N3 O2
SMILES:Cc1onc(c1)C(=O)NN
InChi:InChI=1S/C5H7N3O2/c1-3-2-4(8-10-3)5(9)7-6/h2H,6H2,1H3,(H,7,9)
定義日:2024-12-11
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:5-methyl-1,2-oxazole-3-carbohydrazide
A1EHY
A1EHY
表記:2-(2-methylimidazol-1-yl)aniline
組成式:C10 H11 N3
SMILES:Cc1nccn1c2ccccc2N
InChi:InChI=1S/C10H11N3/c1-8-12-6-7-13(8)10-5-3-2-4-9(10)11/h2-7H,11H2,1H3
定義日:2024-12-15
最終更新日:2025-08-22
公開日:2025-08-27
識別子（ID）:2-(2-methylimidazol-1-yl)aniline
6NA
6NA
表記:HEXANOIC ACID
組成式:C6 H12 O2
SMILES:O=C(O)CCCCC
InChi:InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
定義日:2006-07-05
最終更新日:2025-08-21
識別子（ID）:hexanoic acid
A1EKQ
A1EKQ
表記:(S)-N-((2R,3S,3a'R,4R,11'S)-3-((2-amino-6-oxo-1,6-dihydro-7H-purin-7-yl)methyl)-3,7',11'-trihydroxy-5',8'-dioxo-3a',4,5,5',8',9',10',11'-octahydro-3H,3'H-spiro[furan-2,2'-furo[2,3,4-de]naphtho[2,3-h]chromen]-4-yl)-1-methylpiperidine-2-carboxamide
組成式:C34 H35 N7 O10
SMILES:CN1CCCC[CH]1C(=O)N[CH]2CO[C]3(C[CH]4OC(=O)c5cc6c(O)c7C(=O)CC[CH](O)c7cc6c(O3)c45)[C]2(O)Cn8cnc9NC(=NC(=O)c89)N
InChi:InChI=1S/C34H35N7O10/c1-40-7-3-2-4-18(40)29(45)37-22-11-49-34(33(22,48)12-41-13-36-28-25(41)30(46)39-32(35)38-28)10-21-24-17(31(47)50-21)8-14-15(27(24)51-34)9-16-19(42)5-6-20(43)23(16)26(14)44/h8-9,13,18-19,21-22,42,44,48H,2-7,10-12H2,1H3,(H,37,45)(H3,35,38,39,46)/t18-,19-,21+,22+,33-,34+/m0/s1
定義日:2025-01-24
最終更新日:2025-08-15
公開日:2025-08-20
A1H3R
A1H3R
表記:(3~{S})-4-[4-(1-benzothiophen-3-yl)-6,7,8,9-tetrahydro-5~{H}-pyrimido[4,5-d]azepin-2-yl]-3-methyl-morpholine
組成式:C21 H24 N4 O S
SMILES:C[CH]1COCCN1c2nc3CCNCCc3c(n2)c4csc5ccccc45
InChi:InChI=1S/C21H24N4OS/c1-14-12-26-11-10-25(14)21-23-18-7-9-22-8-6-16(18)20(24-21)17-13-27-19-5-3-2-4-15(17)19/h2-5,13-14,22H,6-12H2,1H3/t14-/m0/s1
別名: Respiri-1093
定義日:2024-02-06
最終更新日:2025-08-15
公開日:2025-08-20
識別子（ID）:(3~{S})-4-[4-(1-benzothiophen-3-yl)-6,7,8,9-tetrahydro-5~{H}-pyrimido[4,5-d]azepin-2-yl]-3-methyl-morpholine
A1IGS
A1IGS
表記:(4R)-4-pyridin-4-ylpyrrolidin-2-one
組成式:C9 H10 N2 O
SMILES:O=C1C[CH](CN1)c2ccncc2
InChi:InChI=1S/C9H10N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2,(H,11,12)
定義日:2024-07-01
最終更新日:2025-08-15
公開日:2025-08-20
識別子（ID）:(4~{R})-4-pyridin-4-ylpyrrolidin-2-one
A1IKQ
A1IKQ
表記:1-[(2R,4S,5R)-4-[[(1R,3R,4R,7S)-7-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
組成式:C40 H52 N13 O20 P3 S3
SMILES:CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O[P](S)(=O)OC[CH]4O[CH](C[CH]4O[P](S)(=O)OC[CH]5O[CH](C[CH]5O)N6C=CC(=NC6=O)N)n7cnc8c(N)ncnc78)CO[P](S)(=O)O[CH]9C[CH](O[CH]9CO)N%10C=C(C)C(=O)NC%10=O)C(=O)N=C1N
InChi:InChI=1S/C40H52N13O20P3S3/c1-17-8-52(38(58)48-32(17)42)36-30-31(40(70-36,13-63-30)14-66-76(62,79)71-20-6-27(67-22(20)10-54)51-9-18(2)35(56)49-39(51)59)73-75(61,78)65-12-24-21(7-28(69-24)53-16-46-29-33(43)44-15-45-34(29)53)72-74(60,77)64-11-23-19(55)5-26(68-23)50-4-3-25(41)47-37(50)57/h3-4,8-9,15-16,19-24,26-28,30-31,36,54-55H,5-7,10-14H2,1-2H3,(H,60,77)(H,61,78)(H,62,79)(H2,41,47,57)(H2,42,48,58)(H2,43,44,45)(H,49,56,59)/t19-,20-,21-,22+,23+,24+,26+,27+,28+,30+,31-,36+,40+,74+,75+,76+/m0/s1
定義日:2024-08-12
最終更新日:2025-08-15
公開日:2025-08-20
識別子（ID）:1-[(2~{R},4~{S},5~{R})-4-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
A1IKV
A1IKV
表記:1-[(1~{S},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(6-aminopurin-9-yl)-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-pyrimidine-2,4-dione
組成式:C44 H54 N13 O23 P3 S3
SMILES:CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O)CO[P](S)(=O)O[CH]4[CH]5OC[C]4(CO[P](S)(=O)O[CH]6[CH]7OC[C]6(CO[P](S)(=O)O[CH]8[CH]9OC[C]8(CO)O[CH]9N%10C=C(C)C(=O)NC%10=O)O[CH]7N%11C=C(C)C(=NC%11=O)N)O[CH]5n%12cnc%13c(N)ncnc%12%13)C(=O)N=C1N
InChi:InChI=1S/C44H54N13O23P3S3/c1-17-4-54(38(61)51-29(17)45)34-21-25(59)42(75-34,9-67-21)12-71-81(64,84)80-28-24-37(57-16-50-20-31(47)48-15-49-32(20)57)77-44(28,11-70-24)14-73-83(66,86)79-27-23-36(55-5-18(2)30(46)52-39(55)62)76-43(27,10-69-23)13-72-82(65,85)78-26-22-35(74-41(26,7-58)8-68-22)56-6-19(3)33(60)53-40(56)63/h4-6,15-16,21-28,34-37,58-59H,7-14H2,1-3H3,(H,64,84)(H,65,85)(H,66,86)(H2,45,51,61)(H2,46,52,62)(H2,47,48,49)(H,53,60,63)/t21?,22-,23+,24-,25-,26-,27+,28?,34?,35-,36+,37?,41-,42+,43+,44+,81+,82+,83+/m0/s1
定義日:2024-08-14
最終更新日:2025-08-15
公開日:2025-08-20
識別子（ID）:1-[(1~{S},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(6-aminopurin-9-yl)-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-pyrimidine-2,4-dione

243911

件を2025-10-29に公開中

PDB statisticsPDBj update infoContact PDBjnumon