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
SX4
SX4
表記:4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline
組成式:C18 H18 Br Cl N2 O
SMILES:O=C(c1cc(Br)ccc1N)N2CCCC2Cc3ccccc3Cl
InChi:InChI=1S/C18H18BrClN2O/c19-13-7-8-17(21)15(11-13)18(23)22-9-3-5-14(22)10-12-4-1-2-6-16(12)20/h1-2,4,6-8,11,14H,3,5,9-10,21H2/t14-/m1/s1
定義日:2008-03-13
最終更新日:2011-06-04
識別子（ID）:4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline
SX5
SX5
表記:4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid
組成式:C18 H23 Br N2 O4
SMILES:O=C(c1cc(Br)ccc1NC(=O)CCC(=O)O)N2CC(CC(C)C2)C
InChi:InChI=1S/C18H23BrN2O4/c1-11-7-12(2)10-21(9-11)18(25)14-8-13(19)3-4-15(14)20-16(22)5-6-17(23)24/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,20,22)(H,23,24)/t11-,12+
定義日:2008-03-13
最終更新日:2011-06-04
識別子（ID）:4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid
088
088
表記:3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid
組成式:C29 H24 Cl2 N2 O4
SMILES:O=C(O)c1cc(ccc1)Cn5ccc4cc(OCc3c(onc3c2c(Cl)cccc2Cl)C(C)C)ccc45
InChi:InChI=1S/C29H24Cl2N2O4/c1-17(2)28-22(27(32-37-28)26-23(30)7-4-8-24(26)31)16-36-21-9-10-25-19(14-21)11-12-33(25)15-18-5-3-6-20(13-18)29(34)35/h3-14,17H,15-16H2,1-2H3,(H,34,35)
定義日:2009-05-06
最終更新日:2011-06-04
識別子（ID）:3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid
TC9
TC9
表記:D-TUBOCURARINE
組成式:C37 H42 N2 O6
SMILES:COc1cc2CC[N+](C)(C)[CH]3Cc4ccc(O)c(Oc5cc6[CH](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
InChi:InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1
定義日:2010-11-19
最終更新日:2011-06-04
SX6
SX6
表記:N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide
組成式:C22 H30 Br N3 O4
SMILES:O=C(N1CCOCC1)CCC(=O)Nc3ccc(Br)cc3C(=O)N2CC(C)CC(C)C2
InChi:InChI=1S/C22H30BrN3O4/c1-15-11-16(2)14-26(13-15)22(29)18-12-17(23)3-4-19(18)24-20(27)5-6-21(28)25-7-9-30-10-8-25/h3-4,12,15-16H,5-11,13-14H2,1-2H3,(H,24,27)/t15-,16+
定義日:2008-03-13
最終更新日:2011-06-04
識別子（ID）:N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide
O09
O09
表記:(E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid
組成式:C10 H11 N3 O3
SMILES:O=C(O)CON=Cc1ccc(C(=[N@H])N)cc1
InChi:InChI=1S/C10H11N3O3/c11-10(12)8-3-1-7(2-4-8)5-13-16-6-9(14)15/h1-5H,6H2,(H3,11,12)(H,14,15)/b13-5+
定義日:2009-10-08
最終更新日:2011-06-04
識別子（ID）:({[(E)-(4-carbamimidoylphenyl)methylidene]amino}oxy)acetic acid
TCA
TCA
表記:PHENYLETHYLENECARBOXYLIC ACID
組成式:C9 H8 O2
SMILES:O=C(O)C=Cc1ccccc1
InChi:InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2E)-3-phenylprop-2-enoic acid
SX8
SX8
表記:6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline
組成式:C18 H13 N7 S
SMILES:n3c(ccc4nnc(Sc2cc1cccnc1cc2)n34)c5cn(nc5)C
InChi:InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3
定義日:2008-07-09
最終更新日:2011-06-04
識別子（ID）:6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline
OFL
OFL
表記:O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID
組成式:C14 H10 F3 N O2
SMILES:FC(F)(F)c2ccccc2Nc1c(C(=O)O)cccc1
InChi:InChI=1S/C14H10F3NO2/c15-14(16,17)10-6-2-4-8-12(10)18-11-7-3-1-5-9(11)13(19)20/h1-8,18H,(H,19,20)
定義日:2000-01-28
最終更新日:2011-06-04
識別子（ID）:2-{[2-(trifluoromethyl)phenyl]amino}benzoic acid
TCC
TCC
表記:2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL
組成式:C12 H9 Cl2 N O
SMILES:Clc2cc(Cl)ccc2Nc1ccccc1O
InChi:InChI=1S/C12H9Cl2NO/c13-8-5-6-10(9(14)7-8)15-11-3-1-2-4-12(11)16/h1-7,15-16H
定義日:2003-01-17
最終更新日:2011-06-04
識別子（ID）:2-[(2,4-dichlorophenyl)amino]phenol
TCD
TCD
表記:3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE
組成式:C16 H8 Cl4 N2 O2
SMILES:Clc3cc(Cl)cnc3Oc2ccc(Oc1ncc(Cl)cc1Cl)cc2
InChi:InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H
定義日:2004-10-27
最終更新日:2011-06-04
識別子（ID）:2,2'-[benzene-1,4-diylbis(oxy)]bis(3,5-dichloropyridine)
S3H
S3H
表記:trisulfane
組成式:H2 S3
SMILES:SSS
InChi:InChI=1S/H2S3/c1-3-2/h1-2H
定義日:2009-05-11
最終更新日:2011-06-04
識別子（ID）:trisulfane
U5P
U5P
表記:URIDINE-5'-MONOPHOSPHATE
組成式:C9 H13 N2 O9 P
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5'-uridylic acid
TR2
TR2
表記:thieno[3,2-b]pyridin-7-ol
組成式:C7 H5 N O S
SMILES:n1ccc(O)c2sccc12
InChi:InChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9)
定義日:2010-06-08
最終更新日:2011-06-04
識別子（ID）:thieno[3,2-b]pyridin-7-ol
SXD
SXD
表記:N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
組成式:C17 H31 N2 O9 P S
SMILES:O=C(NCCSCCC(=O)CC(=O)C)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
InChi:InChI=1S/C17H31N2O9PS/c1-12(20)10-13(21)5-8-30-9-7-18-14(22)4-6-19-16(24)15(23)17(2,3)11-28-29(25,26)27/h15,23H,4-11H2,1-3H3,(H,18,22)(H,19,24)(H2,25,26,27)/t15-/m1/s1
定義日:2009-04-02
最終更新日:2011-06-04
識別子（ID）:N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
5UA
5UA
表記:5'-O-CARBOXY-2'-DEOXYADENOSINE
組成式:C11 H13 N5 O5
SMILES:O=C(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C11H13N5O5/c12-9-8-10(14-3-13-9)16(4-15-8)7-1-5(17)6(21-7)2-20-11(18)19/h3-7,17H,1-2H2,(H,18,19)(H2,12,13,14)/t5-,6+,7+/m0/s1
定義日:2010-04-25
最終更新日:2011-06-04
識別子（ID）:5'-O-carboxy-2'-deoxyadenosine
TR3
TR3
表記:N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide
組成式:C20 H22 N4 O S
SMILES:O=C(Nc1ccc2c(c1)n(nc2SC)c3ccccc3)C4CCNCC4
InChi:InChI=1S/C20H22N4OS/c1-26-20-17-8-7-15(22-19(25)14-9-11-21-12-10-14)13-18(17)24(23-20)16-5-3-2-4-6-16/h2-8,13-14,21H,9-12H2,1H3,(H,22,25)
定義日:2010-06-08
最終更新日:2011-06-04
識別子（ID）:N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide
Z82
Z82
表記:4-bromobenzoic acid
組成式:C7 H5 Br O2
SMILES:OC(=O)c1ccc(Br)cc1
InChi:InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
定義日:2010-01-26
最終更新日:2011-06-04
識別子（ID）:4-bromobenzoic acid
POO
POO
表記:3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
組成式:C31 H39 N3 O3
SMILES:O=C(O)c1ccc3c(c1)n(c(c2ccccc2)c3C4CCCCC4)CC(=O)N(CC5CCCN(C)C5)C
InChi:InChI=1S/C31H39N3O3/c1-32-17-9-10-22(19-32)20-33(2)28(35)21-34-27-18-25(31(36)37)15-16-26(27)29(23-11-5-3-6-12-23)30(34)24-13-7-4-8-14-24/h4,7-8,13-16,18,22-23H,3,5-6,9-12,17,19-21H2,1-2H3,(H,36,37)/t22-/m1/s1
定義日:2005-05-06
最終更新日:2011-06-04
識別子（ID）:3-cyclohexyl-1-[2-(methyl{[(3R)-1-methylpiperidin-3-yl]methyl}amino)-2-oxoethyl]-2-phenyl-1H-indole-6-carboxylic acid
5UD
5UD
表記:5-FLUOROURIDINE
組成式:C9 H11 F N2 O6
SMILES:FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)CO
InChi:InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
定義日:2003-12-19
最終更新日:2011-06-04
識別子（ID）:5-fluorouridine
PA2
PA2
表記:PAROMOMYCIN (RING 2)
組成式:C6 H14 N2 O2
SMILES:OC1CC(N)CC(N)C1O
InChi:InChI=1S/C6H14N2O2/c7-3-1-4(8)6(10)5(9)2-3/h3-6,9-10H,1-2,7-8H2/t3-,4+,5-,6-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1S,2S,3R,5S)-3,5-diaminocyclohexane-1,2-diol
POQ
POQ
表記:BIS(((3S,4S,5R,6R)-5-(ETHYL(PHOSPHORYLOXY))-3,4,6-TRIHYDROXY-TETRAHYDRO-2H-PYRAN-2-YL)METHYL) HYDROGEN PHOSPHATE
組成式:C16 H33 O20 P3
SMILES:O=P(O)(OCC)OC1C(O)C(O)C(OC1O)COP(=O)(O)OCC2OC(O)C(OP(=O)(O)OCC)C(O)C2O
InChi:InChI=1S/C16H33O20P3/c1-3-29-38(25,26)35-13-11(19)9(17)7(33-15(13)21)5-31-37(23,24)32-6-8-10(18)12(20)14(16(22)34-8)36-39(27,28)30-4-2/h7-22H,3-6H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t7-,8?,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1
定義日:2005-08-11
最終更新日:2011-06-04
識別子（ID）:(2R,3R,4S,5S,6R)-6-({[{[(2S,3S,4S,5R,6R)-5-{[(R)-ethoxy(hydroxy)phosphoryl]oxy}-3,4,6-trihydroxytetrahydro-2H-pyran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}methyl)-2,4,5-trihydroxytetrahydro-2H-pyran-3-yl ethyl hydrogen (S)-phosphate (non-preferred name)
UKW
UKW
表記:4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide
組成式:C13 H12 N2 O4
SMILES:O=C(NC(C(=O)N=O)C(O)C)c1ccc(C#C)cc1
InChi:InChI=1S/C13H12N2O4/c1-3-9-4-6-10(7-5-9)12(17)14-11(8(2)16)13(18)15-19/h1,4-8,11,16H,2H3,(H,14,17)/t8-,11+/m1/s1
定義日:2010-10-14
最終更新日:2011-06-04
識別子（ID）:4-ethynyl-N-[(2S,3R)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide
TCL
TCL
表記:TRICLOSAN
組成式:C12 H7 Cl3 O2
SMILES:Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O
InChi:InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5-chloro-2-(2,4-dichlorophenoxy)phenol
SXK
SXK
表記:[(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid
組成式:C14 H10 F2 O3
SMILES:Fc2ccc(c1ccc(OCC(=O)O)cc1)c(F)c2
InChi:InChI=1S/C14H10F2O3/c15-10-3-6-12(13(16)7-10)9-1-4-11(5-2-9)19-8-14(17)18/h1-7H,8H2,(H,17,18)
定義日:2010-08-05
最終更新日:2011-06-04
識別子（ID）:[(2',4'-difluorobiphenyl-4-yl)oxy]acetic acid

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon