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
P04
P04
表記:19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
組成式:C19 H21 N7 O
SMILES:O=C5Nc1cccc(c1)Nc3nc2c(cnn2c(n3)NC4CC4)CCCC5
InChi:InChI=1S/C19H21N7O/c27-16-7-2-1-4-12-11-20-26-17(12)24-18(25-19(26)23-13-8-9-13)22-15-6-3-5-14(10-15)21-16/h3,5-6,10-11,13H,1-2,4,7-9H2,(H,21,27)(H2,22,23,24,25)
定義日:2007-11-20
最終更新日:2011-06-04
識別子（ID）:19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
P1E
P1E
表記:4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
組成式:C19 H25 F3 N6 O2 S
SMILES:O=S(=O)(NC)c1ccc(cc1)Nc2nc(c(cn2)C(F)(F)F)NC3CCCC3N(C)C
InChi:InChI=1S/C19H25F3N6O2S/c1-23-31(29,30)13-9-7-12(8-10-13)25-18-24-11-14(19(20,21)22)17(27-18)26-15-5-4-6-16(15)28(2)3/h7-11,15-16,23H,4-6H2,1-3H3,(H2,24,25,26,27)/t15-,16-/m1/s1
定義日:2009-04-17
最終更新日:2011-06-04
識別子（ID）:4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
P27
P27
表記:{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)
組成式:C29 H23 F6 N3 O6 P2
SMILES:FC(F)(c1ccc(cc1)CC(c2ccc(F)c(F)c2)(n4nnc3ccccc34)Cc5ccc(cc5)C(F)(F)P(=O)(O)O)P(=O)(O)O
InChi:InChI=1S/C29H23F6N3O6P2/c30-23-14-13-22(15-24(23)31)27(38-26-4-2-1-3-25(26)36-37-38,16-18-5-9-20(10-6-18)28(32,33)45(39,40)41)17-19-7-11-21(12-8-19)29(34,35)46(42,43)44/h1-15H,16-17H2,(H2,39,40,41)(H2,42,43,44)
定義日:2003-08-19
最終更新日:2011-06-04
識別子（ID）:{[2-(1H-benzotriazol-1-yl)-2-(3,4-difluorophenyl)propane-1,3-diyl]bis[benzene-4,1-diyl(difluoromethanediyl)]}bis(phosphonic acid)
AM4
AM4
表記:4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE
組成式:C8 H10 N2 O2 S
SMILES:O=S(=O)(c1ccc(C(=[N@H])N)cc1)C
InChi:InChI=1S/C8H10N2O2S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
定義日:2004-07-15
最終更新日:2011-06-04
識別子（ID）:4-(methylsulfonyl)benzenecarboximidamide
AM5
AM5
表記:4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
組成式:C31 H30 F3 N7 O2
SMILES:FC(F)(F)c1cccc(c1)NC(=O)c2cc(c(cc2)C)C(=O)Nc3cnc(nc3)Nc4ccc(cc4)N5CCN(C)CC5
InChi:InChI=1S/C31H30F3N7O2/c1-20-6-7-21(28(42)37-24-5-3-4-22(17-24)31(32,33)34)16-27(20)29(43)38-25-18-35-30(36-19-25)39-23-8-10-26(11-9-23)41-14-12-40(2)13-15-41/h3-11,16-19H,12-15H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)
定義日:2008-01-21
最終更新日:2011-06-04
識別子（ID）:4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
AMS
AMS
表記:3-MERCURI-4-AMINOBENZENESULFONAMIDE
組成式:C6 H7 Hg N2 O2 S
SMILES:O=S(=O)(c1cc([Hg])c(N)cc1)N
InChi:InChI=1S/C6H7N2O2S.Hg/c7-5-1-3-6(4-2-5)11(8,9)10
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2-amino-5-sulfamoylphenyl)mercury
P4P
P4P
表記:TETRAPHENYLPHOSPHONIUM
組成式:C24 H20 P
SMILES:c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
InChi:InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:tetraphenylphosphonium
P9B
P9B
表記:4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
組成式:C13 H8 F5 N3 O3 S
SMILES:O=S(=O)(N)c2ccc(NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)cc2
InChi:InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
定義日:2010-05-26
最終更新日:2011-06-04
識別子（ID）:4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
PCB
PCB
表記:4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL
組成式:C14 H10 Cl4 O4 S2
SMILES:Clc2cc(c(Cl)cc2c1c(Cl)cc(c(Cl)c1)S(=O)(=O)C)S(=O)(=O)C
InChi:InChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2,2',5,5'-tetrachloro-4,4'-bis(methylsulfonyl)biphenyl
PET
PET
表記:1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE
組成式:C18 H22 N4 O3
SMILES:O(c1ccc(cc1)C(=[N@H])N)CCOCCOc2ccc(C(=[N@H])N)cc2
InChi:InChI=1S/C18H22N4O3/c19-17(20)13-1-5-15(6-2-13)24-11-9-23-10-12-25-16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4,4'-[oxybis(ethane-2,1-diyloxy)]dibenzenecarboximidamide
PFT
PFT
表記:4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol
組成式:C15 H13 N O3
SMILES:O=C(c1ccc(O)cc1O)N3Cc2ccccc2C3
InChi:InChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2
定義日:2009-10-22
最終更新日:2011-06-04
識別子（ID）:1,3-dihydro-2H-isoindol-2-yl(2,4-dihydroxyphenyl)methanone
7X4
7X4
表記:3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide
組成式:C17 H14 Cl N5 O4 S
SMILES:O=S(=O)(N)c1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34
InChi:InChI=1S/C17H14ClN5O4S/c18-12-4-5-13-16(27-9-26-13)15(12)22-14-6-7-20-17(23-14)21-10-2-1-3-11(8-10)28(19,24)25/h1-8H,9H2,(H2,19,24,25)(H2,20,21,22,23)
定義日:2008-06-27
最終更新日:2011-06-04
識別子（ID）:3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide
PHT
PHT
表記:PHTHALIC ACID
組成式:C8 H6 O4
SMILES:O=C(O)c1ccccc1C(=O)O
InChi:InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:benzene-1,2-dicarboxylic acid
PI9
PI9
表記:(10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE
組成式:C32 H48 N4 O6 S
SMILES:O=S(=O)(c1ccc(N)cc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCCCOc2ccc(cc2)C3)C(C)C
InChi:InChI=1S/C32H48N4O6S/c1-22(2)17-18-36(43(40,41)27-15-11-25(33)12-16-27)21-29(37)28-20-24-9-13-26(14-10-24)42-19-7-5-6-8-30(38)35-31(23(3)4)32(39)34-28/h9-16,22-23,28-29,31,37H,5-8,17-21,33H2,1-4H3,(H,34,39)(H,35,38)/t28-,29+,31-/m0/s1
定義日:1999-10-07
最終更新日:2011-06-04
識別子（ID）:4-amino-N-{(2R)-2-hydroxy-2-[(10S,13S)-10-(1-methylethyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]ethyl}-N-(3-methylbutyl)benzenesulfonamide
BNS
BNS
表記:benzenesulfonic acid
組成式:C6 H6 O3 S
SMILES:O=S(=O)(O)c1ccccc1
InChi:InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:benzenesulfonic acid
BNZ
BNZ
表記:BENZENE
組成式:C6 H6
SMILES:c1ccccc1
InChi:InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:benzene
81A
81A
表記:2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER
組成式:C20 H25 N3 O7 S2
SMILES:O=S(=O)(c1ccccc1S(=O)(=O)Oc3cc(cc(OCC2(CONC(=[N@H])N)CC2)c3)C)C
InChi:InChI=1S/C20H25N3O7S2/c1-14-9-15(28-12-20(7-8-20)13-29-23-19(21)22)11-16(10-14)30-32(26,27)18-6-4-3-5-17(18)31(2,24)25/h3-6,9-11H,7-8,12-13H2,1-2H3,(H4,21,22,23)
定義日:2005-02-02
最終更新日:2011-06-04
識別子（ID）:3-({1-[(carbamimidamidooxy)methyl]cyclopropyl}methoxy)-5-methylphenyl 2-(methylsulfonyl)benzenesulfonate
23I
23I
表記:N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
組成式:C36 H55 N5 O7 S
SMILES:O=S(=O)(N(c1cc(cc(c1)C(=O)NC(c2ccccc2)C)C(=O)NC(CC(C)C)C(O)CC(C(=O)NC(C(=O)NC(C)C)C(C)C)C)C)C
InChi:InChI=1S/C36H55N5O7S/c1-21(2)16-30(31(42)17-24(7)33(43)40-32(22(3)4)36(46)37-23(5)6)39-35(45)28-18-27(19-29(20-28)41(9)49(10,47)48)34(44)38-25(8)26-14-12-11-13-15-26/h11-15,18-25,30-32,42H,16-17H2,1-10H3,(H,37,46)(H,38,44)(H,39,45)(H,40,43)/t24-,25-,30+,31+,32+/m1/s1
定義日:2007-04-13
最終更新日:2011-06-04
識別子（ID）:N-[(1S,2S,4R)-2-hydroxy-4-methyl-5-({(1S)-2-methyl-1-[(1-methylethyl)carbamoyl]propyl}amino)-1-(2-methylpropyl)-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
BP3
BP3
表記:2'-CHLORO-BIPHENYL-2,3-DIOL
組成式:C12 H9 Cl O2
SMILES:Clc2ccccc2c1c(O)c(O)ccc1
InChi:InChI=1S/C12H9ClO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H
定義日:2002-05-01
最終更新日:2011-06-04
識別子（ID）:2'-chlorobiphenyl-2,3-diol
BP6
BP6
表記:2',6'-DICHLORO-BIPHENYL-2,6-DIOL
組成式:C12 H8 Cl2 O2
SMILES:Clc2cccc(Cl)c2c1c(O)c(O)ccc1
InChi:InChI=1S/C12H8Cl2O2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6,15-16H
定義日:2002-05-01
最終更新日:2011-06-04
識別子（ID）:2',6'-dichlorobiphenyl-2,3-diol
BPY
BPY
表記:BIPHENYL-2,3-DIOL
組成式:C12 H10 O2
SMILES:Oc2c(c1ccccc1)cccc2O
InChi:InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H
定義日:2000-03-01
最終更新日:2011-06-04
識別子（ID）:biphenyl-2,3-diol
255
255
表記:N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
組成式:C24 H24 N4 O2 S
SMILES:O=S(=O)(NC(C)(C)C)c1ccc(cc1)c2cc3c(cccc3nc2)Nc4ncccc4
InChi:InChI=1S/C24H24N4O2S/c1-24(2,3)28-31(29,30)19-12-10-17(11-13-19)18-15-20-21(26-16-18)7-6-8-22(20)27-23-9-4-5-14-25-23/h4-16,28H,1-3H3,(H,25,27)
定義日:2007-09-24
最終更新日:2011-06-04
識別子（ID）:N-tert-butyl-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
258
258
表記:(2-chloroethoxy)benzene
組成式:C8 H9 Cl O
SMILES:2-chloroethyl phenyl ether
InChi:InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
定義日:2007-10-01
最終更新日:2011-06-04
識別子（ID）:(2-chloroethoxy)benzene
259
259
表記:1-(methylsulfanyl)-4-nitrobenzene
組成式:C7 H7 N O2 S
SMILES:methyl 4-nitrophenyl sulfide
InChi:InChI=1S/C7H7NO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
定義日:2007-10-02
最終更新日:2011-06-04
識別子（ID）:1-(methylsulfanyl)-4-nitrobenzene
BR6
BR6
表記:(E)-4-((4-bromophenylimino)methyl)benzimidamide
組成式:C14 H12 Br N3
SMILES:Brc2ccc(/N=C/c1ccc(C(=[N@H])N)cc1)cc2
InChi:InChI=1S/C14H12BrN3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-9H,(H3,16,17)/b18-9+
定義日:2009-10-13
最終更新日:2011-06-04
識別子（ID）:4-{(E)-[(4-bromophenyl)imino]methyl}benzenecarboximidamide

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon