Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
VG3
VG3
表記:N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
組成式:C31 H45 N3 O5 S
SMILES:O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c2cccc(c2)S(=O)(=O)CCCCC)Cc3ccccc3)C
InChi:InChI=1S/C31H45N3O5S/c1-3-4-11-19-40(38,39)27-18-12-15-25(21-27)31(37)34-28(20-24-13-7-5-8-14-24)29(35)22-32-23(2)30(36)33-26-16-9-6-10-17-26/h5,7-8,12-15,18,21,23,26,28-29,32,35H,3-4,6,9-11,16-17,19-20,22H2,1-2H3,(H,33,36)(H,34,37)/t23-,28-,29+/m0/s1
定義日:2007-12-06
最終更新日:2011-06-04
識別子（ID）:N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
ADW
ADW
表記:ADENOSINE-5'-DITUNGSTATE
組成式:C10 H15 N5 O10 W2
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[W](O)(=O)O[W](O)(O)=O)[CH](O)[CH]3O
InChi:InChI=1S/C10H12N5O4.3H2O.3O.2W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-oxo-tungstenio]oxy-dihydroxy-oxo-tungsten
VG4
VG4
表記:N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide
組成式:C33 H44 N4 O5
SMILES:O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c2cc(OCCC)cc(c2)N3C=CCC3=O)Cc4ccccc4)C
InChi:InChI=1S/C33H44N4O5/c1-3-17-42-28-20-25(19-27(21-28)37-16-10-15-31(37)39)33(41)36-29(18-24-11-6-4-7-12-24)30(38)22-34-23(2)32(40)35-26-13-8-5-9-14-26/h4,6-7,10-12,16,19-21,23,26,29-30,34,38H,3,5,8-9,13-15,17-18,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
定義日:2007-12-06
最終更新日:2011-06-04
識別子（ID）:N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide
ADX
ADX
表記:ADENOSINE-5'-PHOSPHOSULFATE
組成式:C10 H14 N5 O10 P S
SMILES:O=S(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1
定義日:2000-11-27
最終更新日:2011-06-04
識別子（ID）:5'-O-[(S)-hydroxy(sulfooxy)phosphoryl]adenosine
VG5
VG5
表記: N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
組成式:C32 H45 N5 O4
SMILES:O=C(NC1CCCCC1)C(NCC(O)C(NC(=O)c2cc(cc(c2)N3C(=O)CCC3)NCC)Cc4ccccc4)C
InChi:InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1
定義日:2007-12-06
最終更新日:2011-06-04
識別子（ID）:N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
ADY
ADY
表記:3'-OXO-ADENOSINE
組成式:C10 H11 N5 O4
SMILES:O=C3C(OC(n2cnc1c(ncnc12)N)C3O)CO
InChi:InChI=1S/C10H11N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,7,10,16,18H,1H2,(H2,11,12,13)/t4-,7-,10-/m1/s1
定義日:2002-02-13
最終更新日:2011-06-04
識別子（ID）:9-beta-D-erythro-pentofuranosyl-3-ulose-9H-purin-6-amine
VG6
VG6
表記:N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
組成式:C31 H35 F3 N4 O3
SMILES:FC(F)(F)c1cccc(c1)CNCC(O)C(NC(=O)c2cc(cc(c2)N3C(=O)CCC3)NCC)Cc4ccccc4
InChi:InChI=1S/C31H35F3N4O3/c1-2-36-25-16-23(17-26(18-25)38-13-7-12-29(38)40)30(41)37-27(15-21-8-4-3-5-9-21)28(39)20-35-19-22-10-6-11-24(14-22)31(32,33)34/h3-6,8-11,14,16-18,27-28,35-36,39H,2,7,12-13,15,19-20H2,1H3,(H,37,41)/t27-,28+/m0/s1
定義日:2007-12-06
最終更新日:2011-06-04
識別子（ID）:N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
ADZ
ADZ
表記:9-METHYL-9H-PURIN-6-AMINE
組成式:C6 H7 N5
SMILES:n1c(c2ncn(c2nc1)C)N
InChi:InChI=1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)
定義日:2002-12-19
最終更新日:2011-06-04
識別子（ID）:9-methyl-9H-purin-6-amine
VG7
VG7
表記:N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
組成式:C29 H40 N4 O3
SMILES:O=C(NC(Cc1ccccc1)C(O)CNC2CCCCC2)c3cc(cc(c3)N4C(=O)CCC4)NCC
InChi:InChI=1S/C29H40N4O3/c1-2-30-24-17-22(18-25(19-24)33-15-9-14-28(33)35)29(36)32-26(16-21-10-5-3-6-11-21)27(34)20-31-23-12-7-4-8-13-23/h3,5-6,10-11,17-19,23,26-27,30-31,34H,2,4,7-9,12-16,20H2,1H3,(H,32,36)/t26-,27+/m0/s1
定義日:2007-12-07
最終更新日:2011-06-04
識別子（ID）:N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
VG8
VG8
表記:4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1H-isoindol-1-one
組成式:C30 H36 Cl N7 O2
SMILES:Clc1cnc(nc1Nc2ccc(c3c2C(=O)N(C)C3)N5CCC(N4CCCCC4)CC5)Nc6ccccc6OC
InChi:InChI=1S/C30H36ClN7O2/c1-36-19-21-25(38-16-12-20(13-17-38)37-14-6-3-7-15-37)11-10-24(27(21)29(36)39)33-28-22(31)18-32-30(35-28)34-23-8-4-5-9-26(23)40-2/h4-5,8-11,18,20H,3,6-7,12-17,19H2,1-2H3,(H2,32,33,34,35)
定義日:2008-08-29
最終更新日:2011-06-04
識別子（ID）:4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1H-isoindol-1-one
AE1
AE1
表記:2-{[[(1S)-1-AMINO-2-CARBOXYETHYL](DIHYDROXY)PHOSPHORANYL]METHYL}-4-METHYLPENTANOIC ACID
組成式:C10 H20 N O6 P
SMILES:O=P(O)(CC(C(=O)O)CC(C)C)C(N)CC(=O)O
InChi:InChI=1S/C10H20NO6P/c1-6(2)3-7(10(14)15)5-18(16,17)8(11)4-9(12)13/h6-8H,3-5,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t7-,8-/m1/s1
定義日:2003-06-19
最終更新日:2011-06-04
識別子（ID）:(2S)-2-{[(S)-[(1R)-1-amino-2-carboxyethyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid
VG9
VG9
表記:6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
組成式:C19 H24 N6 O2
SMILES:n1cc(c(c2c1nc(nc2N)N)C)CNc3cc(OCC)ccc3OCC
InChi:InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25)
定義日:2008-11-11
最終更新日:2011-06-04
識別子（ID）:6-{[(2,5-diethoxyphenyl)amino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
AE2
AE2
表記:AETIOCHOLANOLONE
組成式:C19 H30 O2
SMILES:O=C3CCC4C2C(C1(CCC(O)CC1CC2)C)CCC34C
InChi:InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3alpha,5beta,8alpha)-3-hydroxyandrostan-17-one
VGA
VGA
表記:1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL
組成式:C22 H19 N3 O S
SMILES:N2=C(c4ccccc4N=C(N1CC(O)C1)C2c3sccc3)c5ccccc5
InChi:InChI=1S/C22H19N3OS/c26-16-13-25(14-16)22-21(19-11-6-12-27-19)24-20(15-7-2-1-3-8-15)17-9-4-5-10-18(17)23-22/h1-12,16,21,26H,13-14H2/t21-/m1/s1
定義日:2008-11-25
最終更新日:2011-06-04
識別子（ID）:1-[(3S)-5-phenyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-yl]azetidin-3-ol
AE3
AE3
表記:2-(2-ETHOXYETHOXY)ETHANOL
組成式:C6 H14 O3
SMILES:OCCOCCOCC
InChi:InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
定義日:2005-09-29
最終更新日:2011-06-04
識別子（ID）:2-(2-ethoxyethoxy)ethanol
VGB
VGB
表記:(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium
組成式:C19 H26 N3 O4
SMILES:O=C(NC3c1[n+](cc(n1)CCc2ccccc2)C(C(O)C3O)CO)CC
InChi:InChI=1S/C19H25N3O4/c1-2-15(24)21-16-18(26)17(25)14(11-23)22-10-13(20-19(16)22)9-8-12-6-4-3-5-7-12/h3-7,10,14,16-18,23,25-26H,2,8-9,11H2,1H3,(H,21,24)/p+1/t14-,16-,17-,18-/m1/s1
定義日:2009-02-23
最終更新日:2011-06-04
識別子（ID）:(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium
AE4
AE4
表記:3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL
組成式:C12 H26 O6
SMILES:O(CCO)CCOCCOCCOCCOCC
InChi:InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3
定義日:2005-09-29
最終更新日:2011-06-04
識別子（ID）:3,6,9,12,15-pentaoxaheptadecan-1-ol
VGC
VGC
表記:6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID
組成式:C20 H21 N O2 S
SMILES:O=C(O)c1sc2c(c(n(c2c1)C)c3ccccc3)C4CCCCC4
InChi:InChI=1S/C20H21NO2S/c1-21-15-12-16(20(22)23)24-19(15)17(13-8-4-2-5-9-13)18(21)14-10-6-3-7-11-14/h3,6-7,10-13H,2,4-5,8-9H2,1H3,(H,22,23)
定義日:2009-03-17
最終更新日:2011-06-04
識別子（ID）:6-cyclohexyl-4-methyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
VGD
VGD
表記:6-chloro-1H-benzimidazol-2-amine
組成式:C7 H6 Cl N3
SMILES:Clc2cc1c(nc(n1)N)cc2
InChi:InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
定義日:2009-03-23
最終更新日:2011-06-04
識別子（ID）:6-chloro-1H-benzimidazol-2-amine
VGF
VGF
表記:1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE
組成式:C20 H15 Cl2 N3
SMILES:Clc1ccc(cc1Cl)Cn2c3c(nc2N)cccc3c4ccccc4
InChi:InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)
定義日:2009-03-20
最終更新日:2011-06-04
識別子（ID）:1-(3,4-dichlorobenzyl)-7-phenyl-1H-benzimidazol-2-amine
VGG
VGG
表記:1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
組成式:C17 H21 N5
SMILES:n1c(c2c(nc1)n(nc2Cc3cccc(c3)C)C(C)(C)C)N
InChi:InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)
定義日:2009-03-31
最終更新日:2011-06-04
識別子（ID）:1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
VGJ
VGJ
表記:(3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid
組成式:C20 H40 O2
SMILES:O=C(O)CC(CCCC(C)CCCC(C)CCCC(C)C)C
InChi:InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19+/m0/s1
定義日:2009-06-30
最終更新日:2011-06-04
識別子（ID）:(3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid
AED
AED
表記:4-(2-aminoethyl)-2-cyclohexylphenol
組成式:C14 H21 N O
SMILES:Oc1ccc(cc1C2CCCCC2)CCN
InChi:InChI=1S/C14H21NO/c15-9-8-11-6-7-14(16)13(10-11)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9,15H2
定義日:2008-01-07
最終更新日:2011-06-04
識別子（ID）:4-(2-aminoethyl)-2-cyclohexylphenol
VGK
VGK
表記:4-[2-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]BENZOIC ACID
組成式:C21 H20 N2 O5
SMILES:O=C(O)c1ccc(cc1)c2cc(cnc2N)c3cc(OC)c(OC)c(OC)c3
InChi:InChI=1S/C21H20N2O5/c1-26-17-9-14(10-18(27-2)19(17)28-3)15-8-16(20(22)23-11-15)12-4-6-13(7-5-12)21(24)25/h4-11H,1-3H3,(H2,22,23)(H,24,25)
定義日:2009-08-24
最終更新日:2011-06-04
識別子（ID）:4-[2-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]benzoic acid
AEE
AEE
表記:6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
組成式:C27 H32 N6
SMILES:n2c(NC(c1ccccc1)C)c3cc(nc3nc2)c4ccc(cc4)CN5CCN(CC)CC5
InChi:InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1
定義日:2006-05-25
最終更新日:2011-06-04
識別子（ID）:6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

235458

件を2025-04-30に公開中

PDB statisticsPDBj update infoContact PDBjnumon