Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
A1A2J
A1A2J
表記:(2S,4S)-4-amino-1-benzoylpyrrolidine-2-carbaldehyde
組成式:C12 H14 N2 O3
SMILES:NC1CC(C(=O)O)N(C1)C(=O)c1ccccc1
InChi:InChI=1S/C12H14N2O3/c13-9-6-10(12(16)17)14(7-9)11(15)8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2,(H,16,17)/t9-,10-/m0/s1
定義日:2024-08-18
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):(4S)-4-amino-1-benzoyl-L-proline
A1A2K
A1A2K
表記:3-[1-(carboxymethyl)-1H-1,2,3-triazol-4-yl]-D-alanine
組成式:C7 H10 N4 O4
SMILES:OC(=O)Cn1cc(CC(N)C(=O)O)nn1
InChi:InChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-11(10-9-4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)/t5-/m1/s1
定義日:2024-08-18
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):3-[1-(carboxymethyl)-1H-1,2,3-triazol-4-yl]-D-alanine
A1H6M
A1H6M
表記:11,20-Ethanoretinal
組成式:C22 H30 O
SMILES:CC(C=CC1=C(C)CCCC1(C)C)=CC2=CC(CCC2)=CC=O
InChi:InChI=1S/C22H30O/c1-17(15-20-9-5-8-19(16-20)12-14-23)10-11-21-18(2)7-6-13-22(21,3)4/h10-12,14-16H,5-9,13H2,1-4H3/b11-10+,17-15+,19-12+
別名:(2E)-2-[3-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]cyclohex-2-en-1-ylidene]ethanal
定義日:2024-03-25
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):(2~{E})-2-[3-[(1~{E},3~{E})-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]cyclohex-2-en-1-ylidene]ethanal
A1AUE
A1AUE
表記:2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide
組成式:C14 H16 Cl N5 O5 S
SMILES:Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)nc(OC)n1
InChi:InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)
定義日:2024-06-05
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide
A1AUH
A1AUH
表記:2-(2-fluoroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide
組成式:C15 H17 F N4 O5 S
SMILES:O=C(Nc1nc(C)cc(OC)n1)NS(=O)(=O)c1ccccc1OCCF
InChi:InChI=1S/C15H17FN4O5S/c1-10-9-13(24-2)18-14(17-10)19-15(21)20-26(22,23)12-6-4-3-5-11(12)25-8-7-16/h3-6,9H,7-8H2,1-2H3,(H2,17,18,19,20,21)
定義日:2024-06-05
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):2-(2-fluoroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide
A1BC9
A1BC9
表記:3-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)xanthen-9-yl]-4-(dimethylsulfamoylcarbamoyl)benzoic acid
組成式:C27 H29 N4 O6 S
SMILES:CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(=O)N[S](=O)(=O)N(C)C)C(O)=O)=[N](C)C)c1
InChi:InChI=1S/C27H29N4O6S/c1-29(2)17-8-11-20-23(14-17)37-24-15-18(30(3)4)9-12-21(24)25(20)22-13-16(27(33)34)7-10-19(22)26(32)28-38(35,36)31(5)6/h7-15H,1-6H3,(H,28,32)(H,33,34)
定義日:2024-10-14
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):3-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)xanthen-9-yl]-4-(dimethylsulfamoylcarbamoyl)benzoic acid
A1BCT
A1BCT
表記:1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one
組成式:C16 H18 Cl N5 O2
SMILES:O=C(CC)N1CCOCC1c1cc(cc(Cl)c1)c1ncnc(N)n1
InChi:InChI=1S/C16H18ClN5O2/c1-2-14(23)22-3-4-24-8-13(22)10-5-11(7-12(17)6-10)15-19-9-20-16(18)21-15/h5-7,9,13H,2-4,8H2,1H3,(H2,18,19,20,21)
定義日:2024-10-04
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one
6I5
6I5
表記:[3-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxy-phenyl] ethanesulfonate
組成式:C24 H24 N4 O5 S
SMILES:CC[S](=O)(=O)Oc1ccc(OC)c(c1)c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C
InChi:InChI=1S/C24H24N4O5S/c1-5-34(30,31)33-18-6-7-22(32-4)19(10-18)21-14-27-23-20(21)9-16(13-26-23)15-8-17(12-25-11-15)24(29)28(2)3/h6-14H,5H2,1-4H3,(H,26,27)
定義日:2023-02-07
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):[3-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxy-phenyl] ethanesulfonate
BZ2
BZ2
表記:1-benzofuran-2-carboxylic acid
組成式:C9 H6 O3
SMILES:O=C(O)c2oc1ccccc1c2
InChi:InChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
定義日:2009-08-11
最終更新日:2024-10-18
識別子(ID):1-benzofuran-2-carboxylic acid
PIJ
PIJ
表記:[(2S)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] heptadecanoate
組成式:C42 H81 O13 P
SMILES:O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C42H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)54-34(33-53-56(50,51)55-42-40(48)38(46)37(45)39(47)41(42)49)32-52-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37-42,45-49H,3-33H2,1-2H3,(H,50,51)/t34-,37-,38-,39+,40+,41-,42-/m0/s1
定義日:2011-03-08
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):(2S)-1-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl heptadecanoate
WBW
WBW
表記:(6S,9aS)-8-(anthracen-9-ylmethyl)-6-[(2S)-butan-2-yl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
組成式:C31 H35 F3 N4 O3
SMILES:CC[CH](C)[CH]1N2[CH](CN(Cc3c4ccccc4cc5ccccc35)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F
InChi:InChI=1S/C31H35F3N4O3/c1-3-20(2)28-29(40)36(18-25-23-11-6-4-9-21(23)17-22-10-5-7-12-24(22)25)19-26-37(16-13-27(39)38(26)28)30(41)35-15-8-14-31(32,33)34/h4-7,9-12,17,20,26,28H,3,8,13-16,18-19H2,1-2H3,(H,35,41)/t20-,26+,28-/m0/s1
定義日:2023-02-10
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):(6~{S},9~{a}~{S})-8-(anthracen-9-ylmethyl)-6-[(2~{S})-butan-2-yl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide
WS8
WS8
表記:(3,5-dimethoxyphenyl)boronic acid
組成式:C8 H11 B O4
SMILES:COc1cc(cc(OC)c1)B(O)O
InChi:InChI=1S/C8H11BO4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5,10-11H,1-2H3
定義日:2023-10-11
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):(3,5-dimethoxyphenyl)boronic acid
WU3
WU3
表記:(2S)-2-dodecylsulfanylpropanoic acid
組成式:C15 H30 O2 S
SMILES:CCCCCCCCCCCCS[CH](C)C(O)=O
InChi:InChI=1S/C15H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18-14(2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m0/s1
定義日:2023-10-13
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):(2~{S})-2-dodecylsulfanylpropanoic acid
WU8
WU8
表記:3-dodecylsulfanyl-2,2-dimethyl-propanoic acid
組成式:C17 H34 O2 S
SMILES:CCCCCCCCCCCCSCC(C)(C)C(O)=O
InChi:InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-17(2,3)16(18)19/h4-15H2,1-3H3,(H,18,19)
定義日:2023-10-13
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):3-dodecylsulfanyl-2,2-dimethyl-propanoic acid
WWE
WWE
表記:3-dodecylsulfanyl-3-methyl-butanoic acid
組成式:C17 H34 O2 S
SMILES:CCCCCCCCCCCCSC(C)(C)CC(O)=O
InChi:InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-17(2,3)15-16(18)19/h4-15H2,1-3H3,(H,18,19)
定義日:2023-10-16
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):3-dodecylsulfanyl-3-methyl-butanoic acid
WWK
WWK
表記:3-dodecylsulfanylpropanoic acid
組成式:C15 H30 O2 S
SMILES:CCCCCCCCCCCCSCCC(O)=O
InChi:InChI=1S/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17/h2-14H2,1H3,(H,16,17)
定義日:2023-10-16
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):3-dodecylsulfanylpropanoic acid
WXE
WXE
表記:Macrofusine
組成式:C34 H59 N O15
SMILES:CCCC[CH](C)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C[CH](C)C[CH](O)CCCC[CH](O)C[CH](O)[CH](C)N)OC(=O)C[CH](CC(O)=O)C(O)=O
InChi:InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20-,21-,22+,23-,24-,25-,26+,27+,32-/m0/s1
別名:(2R)-2-[2-[(5S,6S,7R,9S,11S,16S,18R,19S)-19-azanyl-6-[(3S)-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid
定義日:2023-10-17
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):(2~{R})-2-[2-[(5~{S},6~{S},7~{R},9~{S},11~{S},16~{S},18~{R},19~{S})-19-azanyl-6-[(3~{S})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid
WXN
WXN
表記:3-(((2-cycloheptylethyl)(methyl)amino)methyl)-N-methyl-1H-indol-7-amine
組成式:C20 H31 N3
SMILES:CNc1cccc2c(CN(C)CCC3CCCCCC3)c[nH]c12
InChi:InChI=1S/C20H31N3/c1-21-19-11-7-10-18-17(14-22-20(18)19)15-23(2)13-12-16-8-5-3-4-6-9-16/h7,10-11,14,16,21-22H,3-6,8-9,12-13,15H2,1-2H3
別名:3-[[2-cycloheptylethyl(methyl)amino]methyl]-N-methyl-1H-indol-7-amine
定義日:2023-10-17
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):3-[[2-cycloheptylethyl(methyl)amino]methyl]-~{N}-methyl-1~{H}-indol-7-amine
WXR
WXR
表記:N-[3-[[2-cycloheptylethyl(methyl)amino]methyl]-1H-indol-7-yl]-N-methyl-methanamide
組成式:C21 H31 N3 O
SMILES:CN(CCC1CCCCCC1)Cc2c[nH]c3c(cccc23)N(C)C=O
InChi:InChI=1S/C21H31N3O/c1-23(13-12-17-8-5-3-4-6-9-17)15-18-14-22-21-19(18)10-7-11-20(21)24(2)16-25/h7,10-11,14,16-17,22H,3-6,8-9,12-13,15H2,1-2H3
定義日:2023-10-17
最終更新日:2024-10-18
公開日:2024-10-23
識別子(ID):~{N}-[3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-yl]-~{N}-methyl-methanamide
A1H2I
A1H2I
表記:(2~{S})-2-azanyl-3-[(3~{S})-5-oxidanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]propanoic acid
組成式:C11 H12 N2 O4
SMILES:N[CH](C[CH]1C(=O)Nc2ccc(O)cc12)C(O)=O
InChi:InChI=1S/C11H12N2O4/c12-8(11(16)17)4-7-6-3-5(14)1-2-9(6)13-10(7)15/h1-3,7-8,14H,4,12H2,(H,13,15)(H,16,17)/t7-,8-/m0/s1
定義日:2024-01-18
最終更新日:2024-10-15
公開日:2024-05-01
識別子(ID):(2~{S})-2-azanyl-3-[(3~{S})-5-oxidanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]propanoic acid
U8S
U8S
表記:3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine
組成式:C6 H11 N3 O3
SMILES:NC(CC1=CNC(O)N1)C(=O)O
InChi:InChI=1S/C6H11N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4,6,8-9,12H,1,7H2,(H,10,11)/t4-,6-/m0/s1
定義日:2022-08-10
最終更新日:2024-10-15
公開日:2023-10-18
識別子(ID):3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine
A
A
表記:ADENOSINE-5'-MONOPHOSPHATE
組成式:C10 H14 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2024-10-15
識別子(ID):5'-adenylic acid
YRD
YRD
表記:~{N}-(4-methyl-5-oxidanylidene-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide
組成式:C12 H16 N2 O2 S2
SMILES:CCCCCC(=O)NC1=C2SSC=C2N(C)C1=O
InChi:InChI=1S/C12H16N2O2S2/c1-3-4-5-6-9(15)13-10-11-8(7-17-18-11)14(2)12(10)16/h7H,3-6H2,1-2H3,(H,13,15)
定義日:2023-12-12
最終更新日:2024-10-11
公開日:2024-10-16
識別子(ID):~{N}-(4-methyl-5-oxidanylidene-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide
YBR
YBR
表記:N-methyl-D-glutamic acid
組成式:C6 H11 N O4
SMILES:CNC(CCC(=O)O)C(=O)O
InChi:InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1
定義日:2023-01-23
最終更新日:2024-10-11
公開日:2024-10-16
識別子(ID):N-methyl-D-glutamic acid
YRH
YRH
表記:~{N}-(5-oxidanylidene-4~{H}-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide
組成式:C11 H14 N2 O2 S2
SMILES:CCCCCC(=O)NC1=C2SSC=C2NC1=O
InChi:InChI=1S/C11H14N2O2S2/c1-2-3-4-5-8(14)13-9-10-7(6-16-17-10)12-11(9)15/h6H,2-5H2,1H3,(H,12,15)(H,13,14)
定義日:2023-12-12
最終更新日:2024-10-11
公開日:2024-10-16
識別子(ID):~{N}-(5-oxidanylidene-4~{H}-[1,2]dithiolo[4,3-b]pyrrol-6-yl)hexanamide

226707

件を2024-10-30に公開中

PDB statisticsPDBj update infoContact PDBjnumon