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
8O8
8O8
表記:~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide
組成式:C22 H23 N3 O
SMILES:CN(Cc1cccc2cnccc12)C(=O)c3ccccc3[CH]4CCNC4
InChi:InChI=1S/C22H23N3O/c1-25(15-18-6-4-5-16-13-24-12-10-19(16)18)22(26)21-8-3-2-7-20(21)17-9-11-23-14-17/h2-8,10,12-13,17,23H,9,11,14-15H2,1H3/t17-/m0/s1
定義日:2017-02-14
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide
6D5
6D5
表記:(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid
組成式:C17 H26 N10 O5
SMILES:N[CH](CCN(CCCN=[N+]=[N-])C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
InChi:InChI=1S/C17H26N10O5/c18-9(17(30)31)2-5-26(4-1-3-24-25-20)6-10-12(28)13(29)16(32-10)27-8-23-11-14(19)21-7-22-15(11)27/h7-10,12-13,16,28-29H,1-6,18H2,(H,30,31)(H2,19,21,22)/t9-,10+,12+,13+,16+/m0/s1
定義日:2016-03-16
最終更新日:2018-02-27
公開日:2017-03-15
識別子（ID）:(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azidopropyl)amino]-2-azanyl-butanoic acid
6XM
6XM
表記:8,12-bis(2-morpholinoethyl)-8H-benzo[ij]xantheno[1,9,8-cdef][2,7]naphthyridin-12-iumhexafluorophosphate
組成式:C31 H34 N4 O3
SMILES:C1CN(CCO1)CCN2c3cccc4Oc5cccc6N(CCN7CCOCC7)c8cccc2c8[CH](c34)c56
InChi:InChI=1S/C31H34N4O3/c1-4-22-28-23(5-1)35(13-11-33-16-20-37-21-17-33)25-7-3-9-27-30(25)31(28)29-24(6-2-8-26(29)38-27)34(22)12-10-32-14-18-36-19-15-32/h1-9,31H,10-21H2
定義日:2016-07-15
最終更新日:2018-02-27
公開日:2016-09-14
WYD
WYD
表記:~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-(3-azanylprop-1-ynyl)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide
組成式:C30 H43 N5 O11
SMILES:CCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3cn(Cc4cccc(c4)C#CCN)nn3)[CH]2O)[CH](O)[CH]1NC(C)=O
InChi:InChI=1S/C30H43N5O11/c1-3-10-42-29-23(32-17(2)38)25(40)27(22(15-37)45-29)46-30-26(41)28(24(39)21(14-36)44-30)43-16-20-13-35(34-33-20)12-19-7-4-6-18(11-19)8-5-9-31/h4,6-7,11,13,21-30,36-37,39-41H,3,9-10,12,14-16,31H2,1-2H3,(H,32,38)/t21-,22-,23-,24+,25-,26-,27-,28+,29-,30+/m1/s1
定義日:2017-01-20
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-(3-azanylprop-1-ynyl)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide
UFZ
UFZ
表記:(phenylmethyl)azanium
組成式:C7 H10 N
SMILES:[NH3+]Cc1ccccc1
InChi:InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2/p+1
定義日:2016-12-21
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(phenylmethyl)azanium
9LH
9LH
表記:Tunicamycin
組成式:C38 H62 N4 O16
SMILES:CC(C)CCCCCCCCCC=CC(=O)N[CH]1[CH](O)[CH](O)[CH](C[CH](O)[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)O[CH]1O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4NC(C)=O
InChi:InChI=1S/C38H62N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h12,14-16,19,21-23,26-37,43,45,48-53H,4-11,13,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/b14-12+/t21-,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36-,37+/m1/s1
定義日:2017-06-01
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(~{E})-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(2~{R})-2-[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanyl-ethyl]-4,5-bis(oxidanyl)oxan-3-yl]-13-methyl-tetradec-2-enamide
9XE
9XE
表記:7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{H}-quinolin-4-one
組成式:C23 H17 F3 N2 O3
SMILES:COc1ccc2c(NC(=C(C)C2=O)c3cncc(c3)c4ccc(OC(F)(F)F)cc4)c1
InChi:InChI=1S/C23H17F3N2O3/c1-13-21(28-20-10-18(30-2)7-8-19(20)22(13)29)16-9-15(11-27-12-16)14-3-5-17(6-4-14)31-23(24,25)26/h3-12H,1-2H3,(H,28,29)
定義日:2017-07-25
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]-1~{H}-quinolin-4-one
B5W
B5W
表記:(3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium
組成式:C22 H23 Cl N
SMILES:Clc1cc(C[NH2+]CCCc2ccccc2)ccc1c3ccccc3
InChi:InChI=1S/C22H22ClN/c23-22-16-19(13-14-21(22)20-11-5-2-6-12-20)17-24-15-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-14,16,24H,7,10,15,17H2/p+1
定義日:2017-09-19
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium
A4T
A4T
表記:[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine
組成式:C13 H11 Cl F N
SMILES:NCc1ccc(c(Cl)c1)c2ccccc2F
InChi:InChI=1S/C13H11ClFN/c14-12-7-9(8-16)5-6-10(12)11-3-1-2-4-13(11)15/h1-7H,8,16H2
定義日:2017-08-16
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:[3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine
A8Q
A8Q
表記:[3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium
組成式:C16 H19 Cl N
SMILES:CC(C)c1ccccc1c2ccc(C[NH3+])cc2Cl
InChi:InChI=1S/C16H18ClN/c1-11(2)13-5-3-4-6-14(13)15-8-7-12(10-18)9-16(15)17/h3-9,11H,10,18H2,1-2H3/p+1
定義日:2017-08-17
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:[3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium
A9K
A9K
表記:2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol
組成式:C13 H12 Cl N O
SMILES:NCc1ccc(c(Cl)c1)c2ccccc2O
InChi:InChI=1S/C13H12ClNO/c14-12-7-9(8-15)5-6-10(12)11-3-1-2-4-13(11)16/h1-7,16H,8,15H2
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-[4-(aminomethyl)-2-chloranyl-phenyl]phenol
J27
J27
表記:[3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium
組成式:C14 H14 Cl F N
SMILES:Cc1cc(F)ccc1c2ccc(C[NH3+])cc2Cl
InChi:InChI=1S/C14H13ClFN/c1-9-6-11(16)3-5-12(9)13-4-2-10(8-17)7-14(13)15/h2-7H,8,17H2,1H3/p+1
定義日:2017-08-17
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:[3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium
CG8
CG8
表記:(2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid
組成式:C10 H14 N4 O4
SMILES:CN1CC2=C(C1)C(=O)NC(=O)N2C[CH](N)C(O)=O
InChi:InChI=1S/C10H14N4O4/c1-13-2-5-7(4-13)14(3-6(11)9(16)17)10(18)12-8(5)15/h6H,2-4,11H2,1H3,(H,16,17)(H,12,15,18)/t6-/m0/s1
定義日:2017-11-27
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid
CGW
CGW
表記:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid
組成式:C9 H11 N3 O4 S
SMILES:N[CH](CN1C(=O)NC(=O)C2=C1CSC2)C(O)=O
InChi:InChI=1S/C9H11N3O4S/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
定義日:2017-11-27
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid
CJW
CJW
表記:6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid
組成式:C19 H19 N3 O7
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc4cc(ccc4c3)C(O)=O
InChi:InChI=1S/C19H19N3O7/c23-7-12-13(24)14(25)15(26)16(29-12)18-20-17(21-22-18)10-3-1-9-6-11(19(27)28)4-2-8(9)5-10/h1-6,12-16,23-26H,7H2,(H,27,28)(H,20,21,22)/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）:6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid
CKQ
CKQ
表記:4-[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]phenyl]benzoic acid
組成式:C21 H21 N3 O7
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)c4ccc(cc4)C(O)=O
InChi:InChI=1S/C21H21N3O7/c25-9-14-15(26)16(27)17(28)18(31-14)20-22-19(23-24-20)12-5-1-10(2-6-12)11-3-7-13(8-4-11)21(29)30/h1-8,14-18,25-28H,9H2,(H,29,30)(H,22,23,24)/t14-,15-,16+,17-,18-/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）:4-[4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]phenyl]benzoic acid
CKW
CKW
表記:(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
組成式:C20 H21 N3 O5
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)c4ccccc4
InChi:InChI=1S/C20H21N3O5/c24-10-14-15(25)16(26)17(27)18(28-14)20-21-19(22-23-20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-18,24-27H,10H2,(H,21,22,23)/t14-,15-,16+,17-,18-/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-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
CKZ
CKZ
表記:(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
組成式:C21 H21 N3 O5
SMILES:OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc4c(Cc5ccccc45)c3
InChi:InChI=1S/C21H21N3O5/c25-9-15-16(26)17(27)18(28)19(29-15)21-22-20(23-24-21)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8,15-19,25-28H,7,9H2,(H,22,23,24)/t15-,16-,17+,18-,19-/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~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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
FI8
FI8
表記:Fidaxomicin
組成式:C52 H74 Cl2 O18
SMILES:CC[CH]1C=C(C)[CH](O)CC=CC=C(CO[CH]2O[CH](C)[CH](OC(=O)c3c(O)c(Cl)c(O)c(Cl)c3CC)[CH](O)[CH]2OC)C(=O)O[CH](CC=C(C)C=C(C)[CH]1O[CH]4OC(C)(C)[CH](OC(=O)C(C)C)[CH](O)[CH]4O)[CH](C)O
InChi:InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1
定義日:2017-12-20
最終更新日:2018-02-23
公開日:2018-02-28
識別子（ID）:[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(3~{E},5~{E},8~{S},9~{E},11~{S},12~{R},13~{E},15~{E},18~{S})-12-[(2~{R},3~{S},4~{R},5~{S})-6,6-dimethyl-5-(2-methylpropanoyloxy)-3,4-bis(oxidanyl)oxan-2-yl]oxy-11-ethyl-9,13,15-trimethyl-8-oxidanyl-18-[(1~{R})-1-oxidanylethyl]-2-oxidanylidene-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-5-methoxy-2-methyl-4-oxidanyl-oxan-3-yl] 3,5-bis(chloranyl)-2-ethyl-4,6-bis(oxidanyl)benzoate
BJK
BJK
表記:(4-methoxy-3-oxidanyl-phenyl)methylazanium
組成式:C8 H12 N O2
SMILES:COc1ccc(C[NH3+])cc1O
InChi:InChI=1S/C8H11NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5,9H2,1H3/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）:(4-methoxy-3-oxidanyl-phenyl)methylazanium
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
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

224004

件を2024-08-21に公開中

PDB statisticsPDBj update infoContact PDBjnumon