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
ZZE
ZZE
表記:5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile
組成式:C17 H18 N4 O2
SMILES:N#Cc2cc(Oc1c(nn(c1CC)CCO)CC)cc(C#N)c2
InChi:InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3
定義日:2009-07-27
最終更新日:2011-06-04
識別子（ID）:5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile
ZZF
ZZF
表記:4-({4-[(2,6-DIMETHYLPYRIDIN-3-YL)OXY]PYRIDIN-2-YL}AMINO)BENZENESULFONAMIDE
組成式:C18 H18 N4 O3 S
SMILES:O=S(=O)(N)c1ccc(cc1)Nc3nccc(Oc2ccc(nc2C)C)c3
InChi:InChI=1S/C18H18N4O3S/c1-12-3-8-17(13(2)21-12)25-15-9-10-20-18(11-15)22-14-4-6-16(7-5-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)
定義日:2009-07-28
最終更新日:2011-06-04
識別子（ID）:4-({4-[(2,6-dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide
YDP
YDP
表記:(3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine
組成式:C28 H37 N5 O6 S2
SMILES:O=S(=O)(N(C2C(N(CC=C(/C)C)S(=O)(=O)c1ccc(C(=O)N)cc1)CNC2)CC=C(/C)C)c3ccc(C(=O)N)cc3
InChi:InChI=1S/C28H37N5O6S2/c1-19(2)13-15-32(40(36,37)23-9-5-21(6-10-23)27(29)34)25-17-31-18-26(25)33(16-14-20(3)4)41(38,39)24-11-7-22(8-12-24)28(30)35/h5-14,25-26,31H,15-18H2,1-4H3,(H2,29,34)(H2,30,35)/t25-,26-/m0/s1
定義日:2008-01-22
最終更新日:2011-06-04
識別子（ID）:4,4'-{(3S,4S)-pyrrolidine-3,4-diylbis[(3-methylbut-2-en-1-yl)sulfamoyl]}dibenzamide
ZIG
ZIG
表記:2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide
組成式:C25 H17 F2 N5 O3 S
SMILES:COc1ncc(cc1N[S](=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3
InChi:InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
定義日:2009-12-10
最終更新日:2011-06-04
識別子（ID）:2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide
ZZP
ZZP
表記:N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE
組成式:C22 H19 F N4 O4 S
SMILES:Fc1ccc(cc1)S(=O)(=O)Nc3nc4ccccc4nc3N=C2/C=C(OC)C=C(OC)C2
InChi:InChI=1S/C22H19FN4O4S/c1-30-16-11-15(12-17(13-16)31-2)24-21-22(26-20-6-4-3-5-19(20)25-21)27-32(28,29)18-9-7-14(23)8-10-18/h3-11,13H,12H2,1-2H3,(H,26,27)/b24-15+
定義日:2009-11-09
最終更新日:2011-06-04
識別子（ID）:N-(3-{[(1Z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide
XFN
XFN
表記:6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine)
組成式:C22 H27 N5
SMILES:n1c(N)cc(cc1CCc2cc(cc(N)c2)CCc3nc(N)cc(c3)C)C
InChi:InChI=1S/C22H27N5/c1-14-7-19(26-21(24)9-14)5-3-16-11-17(13-18(23)12-16)4-6-20-8-15(2)10-22(25)27-20/h7-13H,3-6,23H2,1-2H3,(H2,24,26)(H2,25,27)
定義日:2010-05-27
最終更新日:2011-06-04
識別子（ID）:6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine)
UQ6
UQ6
表記:5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL
組成式:C39 H60 O4
SMILES:O(c1c(O)c(c(c(O)c1OC)CC=C(/C)CCC=C(/C)CC/C=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)C)C
InChi:InChI=1S/C39H60O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26,40-41H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22-,32-24+,33-26+
定義日:2000-06-20
最終更新日:2011-06-04
識別子（ID）:2-[(2E,6E,10Z,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
X0V
X0V
表記:4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
組成式:C7 H7 F3 N2
SMILES:FC(F)(F)c1cc(N)c(N)cc1
InChi:InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2
定義日:2009-12-17
最終更新日:2011-06-04
識別子（ID）:4-(trifluoromethyl)benzene-1,2-diamine
SAN
SAN
表記:SULFANILAMIDE
組成式:C6 H8 N2 O2 S
SMILES:O=S(=O)(c1ccc(N)cc1)N
InChi:InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-aminobenzenesulfonamide
XIG
XIG
表記:5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
組成式:C34 H29 N O8
SMILES:COc1ccc(cc1)c2ccc(CN([CH]3CCCc4ccccc34)C(=O)c5cc(C(O)=O)c(cc5C(O)=O)C(O)=O)cc2
InChi:InChI=1S/C34H29NO8/c1-43-24-15-13-22(14-16-24)21-11-9-20(10-12-21)19-35(30-8-4-6-23-5-2-3-7-25(23)30)31(36)26-17-28(33(39)40)29(34(41)42)18-27(26)32(37)38/h2-3,5,7,9-18,30H,4,6,8,19H2,1H3,(H,37,38)(H,39,40)(H,41,42)/t30-/m0/s1
定義日:2009-12-01
最終更新日:2011-06-04
識別子（ID）:5-[[4-(4-methoxyphenyl)phenyl]methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
W29
W29
表記:4-(3-ethylthiophen-2-yl)benzene-1,2-diol
組成式:C12 H12 O2 S
SMILES:Oc1ccc(cc1O)c2sccc2CC
InChi:InChI=1S/C12H12O2S/c1-2-8-5-6-15-12(8)9-3-4-10(13)11(14)7-9/h3-7,13-14H,2H2,1H3
定義日:2008-05-11
最終更新日:2011-06-04
識別子（ID）:4-(3-ethylthiophen-2-yl)benzene-1,2-diol
HMK
HMK
表記:(6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMENE-3,6A(12AH)-DIOL
組成式:C16 H12 O6
SMILES:O3c2cc1OCOc1cc2C4(O)C3c5ccc(O)cc5OC4
InChi:InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2/t15-,16+/m1/s1
定義日:2005-04-27
最終更新日:2011-06-04
識別子（ID）:(6aR,12aR)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12aH)-diol
SC4
SC4
表記:1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-BENZENE
組成式:C21 H17 Cl3 O3
SMILES:Clc3cccc(Cl)c3OCc1ccc(cc1)COc2ccc(OC)cc2Cl
InChi:InChI=1S/C21H17Cl3O3/c1-25-16-9-10-20(19(24)11-16)26-12-14-5-7-15(8-6-14)13-27-21-17(22)3-2-4-18(21)23/h2-11H,12-13H2,1H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:1,3-dichloro-2-({4-[(2-chloro-4-methoxyphenoxy)methyl]benzyl}oxy)benzene
SC7
SC7
表記:N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
組成式:C31 H43 F2 N3 O4
SMILES:O=C(N(CCC)CCC)c1cc(cc(c1)C)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C3NCCC(OCC)C3
InChi:InChI=1S/C31H43F2N3O4/c1-5-10-36(11-6-2)31(39)23-13-20(4)12-22(17-23)30(38)35-28(16-21-14-24(32)18-25(33)15-21)29(37)27-19-26(40-7-3)8-9-34-27/h12-15,17-18,26-29,34,37H,5-11,16,19H2,1-4H3,(H,35,38)/t26-,27+,28-,29+/m0/s1
定義日:2007-07-26
最終更新日:2011-06-04
識別子（ID）:N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-[(2R,4S)-4-ethoxypiperidin-2-yl]-2-hydroxyethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
SDA
SDA
表記:4-AMINO-3,5-DICHLOROBENZENESULFONAMIDE
組成式:C6 H6 Cl2 N2 O2 S
SMILES:Clc1cc(cc(Cl)c1N)S(=O)(=O)N
InChi:InChI=1S/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
定義日:2005-09-13
最終更新日:2011-06-04
識別子（ID）:4-amino-3,5-dichlorobenzenesulfonamide
BBF
BBF
表記:1-bromo-2,3,4,5,6-pentafluorobenzene
組成式:C6 Br F5
SMILES:Fc1c(F)c(F)c(F)c(Br)c1F
InChi:InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
定義日:2008-07-11
最終更新日:2011-06-04
識別子（ID）:1-bromo-2,3,4,5,6-pentafluorobenzene
BBH
BBH
表記:1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE
組成式:C19 H21 N3 O6 S
SMILES:O=S(=O)(c1ccc(OC)cc1)N3C(C(=O)NO)CC(=O)N(Cc2ccccc2)C3
InChi:InChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-13-21(12-14-5-3-2-4-6-14)18(23)11-17(22)19(24)20-25/h2-10,17,25H,11-13H2,1H3,(H,20,24)/t17-/m1/s1
定義日:1999-10-28
最終更新日:2011-06-04
識別子（ID）:(4R)-1-benzyl-N-hydroxy-3-[(4-methoxyphenyl)sulfonyl]-6-oxohexahydropyrimidine-4-carboxamide
SG1
SG1
表記:3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE
組成式:C10 H11 N3 O5 S
SMILES:O=S(=O)(c1cc(c(cc1)N2C(=O)CCC2)[N+]([O-])=O)N
InChi:InChI=1S/C10H11N3O5S/c11-19(17,18)7-3-4-8(9(6-7)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2,(H2,11,17,18)
定義日:2002-02-21
最終更新日:2011-06-04
識別子（ID）:3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
BCA
BCA
表記:4-HYDROXYBENZOYL COENZYME A
組成式:C28 H40 N7 O18 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)c4ccc(O)cc4
InChi:InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:S-{(9R,13S,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 4-hydroxybenzenecarbothioate (non-preferred name)
BCF
BCF
表記:1-chloro-2,3,4,5,6-pentafluorobenzene
組成式:C6 Cl F5
SMILES:Fc1c(F)c(F)c(F)c(Cl)c1F
InChi:InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
定義日:2008-07-11
最終更新日:2011-06-04
識別子（ID）:1-chloro-2,3,4,5,6-pentafluorobenzene
SHY
SHY
表記:4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE
組成式:C24 H24 N4 O5
SMILES:O=C1N(C(=O)C4C1C(c2ccc(C(=[N@H])N)cc2)N3CC(O)CC34)Cc5ccc6OCOc6c5
InChi:InChI=1S/C24H24N4O5/c25-22(26)14-4-2-13(3-5-14)21-20-19(16-8-15(29)10-27(16)21)23(30)28(24(20)31)9-12-1-6-17-18(7-12)33-11-32-17/h1-7,15-16,19-21,29H,8-11H2,(H3,25,26)/t15-,16+,19+,20+,21+/m1/s1
定義日:2004-05-24
最終更新日:2011-06-04
識別子（ID）:4-[(3aS,4R,7R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
BEN
BEN
表記:BENZAMIDINE
組成式:C7 H8 N2
SMILES:[N@H]=C(N)c1ccccc1
InChi:InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:benzenecarboximidamide
BEX
BEX
表記:N-[(R)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide
組成式:C15 H19 N3 O5 S
SMILES:O=S(=O)(N)NC(Oc1ccccc1)Nc2cc(OC)c(OC)cc2
InChi:InChI=1S/C15H19N3O5S/c1-21-13-9-8-11(10-14(13)22-2)17-15(18-24(16,19)20)23-12-6-4-3-5-7-12/h3-10,15,17-18H,1-2H3,(H2,16,19,20)/t15-/m1/s1
定義日:2010-03-11
最終更新日:2011-06-04
識別子（ID）:N-[(R)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfuric diamide
BGF
BGF
表記:2,5-BIS(4-GUANYLPHENYL)FURAN
組成式:C18 H18 N4 O
SMILES:o1c(ccc1c2ccc(C(=[NH2+])N)cc2)c3ccc(C(=[NH2+])N)cc3
InChi:InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)/p+2
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(furan-2,5-diyldibenzene-4,1-diyl)bis(aminomethaniminium)
BHC
BHC
表記:BENZENE HEXACARBOXYLIC ACID
組成式:C12 H6 O12
SMILES:O=C(O)c1c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChi:InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:benzene-1,2,3,4,5,6-hexacarboxylic acid

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon