Loading
PDBj
メニューPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
X8W
X8W
表記:(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
組成式:C15 H12 O5
SMILES:O=C(c1c(O)cc(O)cc1O)C=Cc2ccc(O)cc2
InChi:InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H
別名:NARINGENIN CHALCONE
定義日:2014-04-24
最終更新日:2021-03-01
公開日:2015-04-08
識別子(ID):(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
903
903
表記:2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-METHOXYCARBONYL-PHENYL}-2-FLUORO-MALONIC ACID
組成式:C35 H36 F N3 O9
SMILES:O=C(O)C(F)(C(=O)O)c1c(C(=O)OC)cc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4
InChi:InChI=1S/C35H36FN3O9/c1-21(40)37-29(19-23-13-16-27(26(18-23)32(43)48-2)35(36,33(44)45)34(46)47)30(41)38-28-10-6-7-17-39(31(28)42)20-22-11-14-25(15-12-22)24-8-4-3-5-9-24/h3-5,8-9,11-16,18,28-29H,6-7,10,17,19-20H2,1-2H3,(H,37,40)(H,38,41)(H,44,45)(H,46,47)/t28-,29-/m0/s1
別名:RU90395
定義日:2003-06-20
最終更新日:2021-03-01
識別子(ID):{4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-(methoxycarbonyl)phenyl}(fluoro)propanedioic acid
907
907
表記:2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-BROMO-4-METHYLBENZENOLATE
組成式:C16 H14 Br N3 O
SMILES:Brc3cc(cc(c2cc1cc(ccc1n2)C(=[NH2+])N)c3[O-])C
InChi:InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19)
別名:CRA_9076
定義日:2003-03-14
最終更新日:2021-03-01
識別子(ID):2-{5-[amino(iminio)methyl]-1H-indol-2-yl}-6-bromo-4-methylphenolate
XAM
XAM
表記:(1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside
組成式:C44 H60 Cl2 N4 O14
SMILES:O=C(OC1C(OC)C(OC(C)C1OC(=O)N)N2C(=O)C(=C(O)C2C(C)C)C(=O)C6C(C=CC5C(OC3OC(C(O)C(O)(C3)C(NC(=O)c4c(Cl)c(Cl)c(n4)C)C)C)CC/C(=C)C56)C)C
InChi:InChI=1S/C44H60Cl2N4O14/c1-16(2)33-35(53)29(41(56)50(33)42-38(59-10)37(62-23(9)51)36(20(6)61-42)64-43(47)57)34(52)28-18(4)11-13-24-25(14-12-17(3)27(24)28)63-26-15-44(58,39(54)21(7)60-26)22(8)49-40(55)32-31(46)30(45)19(5)48-32/h11,13,16,18,20-22,24-28,33,36-39,42,48,53-54,58H,3,12,14-15H2,1-2,4-10H3,(H2,47,57)(H,49,55)/t18-,20-,21+,22-,24-,25+,26-,27-,28-,33-,36+,37+,38+,39+,42+,44+/m0/s1
別名:Amycolamicin
定義日:2012-04-11
最終更新日:2021-03-01
公開日:2014-07-16
識別子(ID):(1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside
917
917
表記:N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
組成式:C15 H15 N3 O3 S
SMILES:c2cc(c1cncs1)ccc2N3CC(CNC(C)=O)OC3=O
InChi:InChI=1S/C15H15N3O3S/c1-10(19)17-6-13-8-18(15(20)21-13)12-4-2-11(3-5-12)14-7-16-9-22-14/h2-5,7,9,13H,6,8H2,1H3,(H,17,19)/t13-/m0/s1
別名:Llinezolid-114
定義日:2017-03-24
最終更新日:2021-03-01
公開日:2017-09-20
識別子(ID):N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
SU9
SU9
表記:(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE
組成式:C13 H11 N3 O2
SMILES:O=C/1Nc3ccc(OC)cc3C1=C/c2cncn2
InChi:InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
別名:SU9516
定義日:2003-05-27
最終更新日:2021-03-01
識別子(ID):(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1,3-dihydro-2H-indol-2-one
SUA
SUA
表記:(4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER
組成式:C13 H14 N2 O3 S3
SMILES:O=S(=O)(N)c1ccc(cc1)NC(=S)OCCc2ccsc2
InChi:InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17)
別名:Carbonic Anhydrase II inhibitor 16923
定義日:2002-06-06
最終更新日:2021-03-01
識別子(ID):O-[2-(thiophen-3-yl)ethyl] (4-sulfamoylphenyl)carbamothioate
D05
D05
表記:6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE
組成式:C20 H15 Cl3 N4 O3
SMILES:Clc1cc(Cl)cc(Cl)c1n4nc(c2c4N=C(NC2=O)Cc3ccc(O)c(O)c3)CC
InChi:InChI=1S/C20H15Cl3N4O3/c1-2-13-17-19(27(26-13)18-11(22)7-10(21)8-12(18)23)24-16(25-20(17)30)6-9-3-4-14(28)15(29)5-9/h3-5,7-8,28-29H,2,6H2,1H3,(H,24,25,30)
別名:DIN-232305
定義日:2005-09-28
最終更新日:2021-03-01
識別子(ID):6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
D0F
D0F
表記:(2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
組成式:C23 H32 N2 O4
SMILES:OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)CCC3CCCCC3
InChi:InChI=1S/C23H32N2O4/c26-21(14-13-17-8-3-1-4-9-17)25-15-7-12-20(25)22(27)24-19(23(28)29)16-18-10-5-2-6-11-18/h2,5-6,10-11,17,19-20H,1,3-4,7-9,12-16H2,(H,24,27)(H,28,29)/t19-,20-/m0/s1
別名:N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine
定義日:2019-05-29
最終更新日:2021-03-01
公開日:2020-05-27
識別子(ID):(2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
D0R
D0R
表記:N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
組成式:C32 H45 N5 O3 S
SMILES:O=C(NC(Cc1ccccc1)CC(O)C(N)Cc2ccccc2)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)C
InChi:InChI=1S/C32H45N5O3S/c1-21(2)29(36-32(40)37(5)19-26-20-41-31(35-26)22(3)4)30(39)34-25(16-23-12-8-6-9-13-23)18-28(38)27(33)17-24-14-10-7-11-15-24/h6-15,20-22,25,27-29,38H,16-19,33H2,1-5H3,(H,34,39)(H,36,40)/t25-,27-,28-,29-/m0/s1
別名:desthiazolylmethyloxycarbonyl ritonavir
定義日:2011-08-26
最終更新日:2021-03-01
識別子(ID):N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
D19
D19
表記:2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN
組成式:C24 H28 N4 O
SMILES:o1c(ccc1c2ccc(cc2)C(N)NC3CC3)c4ccc(cc4)C(N)NC5CC5
InChi:InChI=1S/C24H28N4O/c25-23(27-19-9-10-19)17-5-1-15(2-6-17)21-13-14-22(29-21)16-3-7-18(8-4-16)24(26)28-20-11-12-20/h1-8,13-14,19-20,23-24,27-28H,9-12,25-26H2/t23-,24+
別名:FURAMIDINE DERIVATIVE
定義日:1999-07-08
最終更新日:2021-03-01
識別子(ID):(S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis(N-cyclopropylmethanediamine)
D1V
D1V
表記:2-mercapto(3H)quinazolinone
組成式:C8 H6 N2 O S
SMILES:O=C1c2c(N=C(S)N1)cccc2
InChi:InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
別名:2-sulfanylquinazolin-4(3H)-one
定義日:2008-05-08
最終更新日:2021-03-01
識別子(ID):2-sulfanylquinazolin-4(3H)-one
D23
D23
表記:6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE
組成式:C19 H19 F3 N4
SMILES:FC(F)(F)c3nc1c(cc(cc1)c2cccc(N)c2)c(n3)NC(C)(C)C
InChi:InChI=1S/C19H19F3N4/c1-18(2,3)26-16-14-10-12(11-5-4-6-13(23)9-11)7-8-15(14)24-17(25-16)19(20,21)22/h4-10H,23H2,1-3H3,(H,24,25,26)
別名:DIN-234325
定義日:2005-09-28
最終更新日:2021-03-01
識別子(ID):6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
SYN
SYN
表記:ethenylbenzene
組成式:C8 H8
SMILES:C=Cc1ccccc1
InChi:InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
別名:styrene
定義日:2012-10-15
最終更新日:2021-03-01
公開日:2013-05-01
識別子(ID):ethenylbenzene
D42
D42
表記:1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA
組成式:C21 H23 N7 O2 S
SMILES:O=C(NN1CCN(C)CC1)Nc2cccc3c2C(=O)c4c(nnc34)c5sc(nc5C)C
InChi:InChI=1S/C21H23N7O2S/c1-11-20(31-12(2)22-11)18-16-17(24-25-18)13-5-4-6-14(15(13)19(16)29)23-21(30)26-28-9-7-27(3)8-10-28/h4-6H,7-10H2,1-3H3,(H,24,25)(H2,23,26,30)
別名:DPH-042562
定義日:2005-09-28
最終更新日:2021-03-01
識別子(ID):1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl]-3-(4-methylpiperazin-1-yl)urea
D4F
D4F
表記:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4S)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
組成式:C21 H20 N7 O9 P S2
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)[CH]4CSC(=N4)c5sc6cc(O)ccc6n5)[CH](O)[CH]3O
InChi:InChI=1S/C21H20N7O9PS2/c22-16-13-17(24-6-23-16)28(7-25-13)20-15(31)14(30)11(36-20)4-35-38(33,34)37-21(32)10-5-39-18(27-10)19-26-9-2-1-8(29)3-12(9)40-19/h1-3,6-7,10-11,14-15,20,29-31H,4-5H2,(H,33,34)(H2,22,23,24)/t10-,11-,14-,15-,20-/m1/s1
別名:Luciferyl adenylate
定義日:2019-06-25
最終更新日:2021-03-01
公開日:2020-05-27
識別子(ID):[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4~{S})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
D50
D50
表記:N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine
組成式:C23 H30 N2 O5
SMILES:O=C(O)C(NC(=O)C(O)C(N)Cc2ccc(OCc1ccccc1)cc2)CC(C)C
InChi:InChI=1S/C23H30N2O5/c1-15(2)12-20(23(28)29)25-22(27)21(26)19(24)13-16-8-10-18(11-9-16)30-14-17-6-4-3-5-7-17/h3-11,15,19-21,26H,12-14,24H2,1-2H3,(H,25,27)(H,28,29)/t19-,20+,21+/m1/s1
別名:Bestatin derivative 7d
定義日:2011-01-11
最終更新日:2021-03-01
識別子(ID):N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine
D65
D65
表記:2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
組成式:C14 H12 F7 N5 S
SMILES:FS(F)(F)(F)(F)c1ccc(cc1)Nc2cc(nc3nc(nn23)C(F)(F)C)C
InChi:InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3
別名:DSM265
定義日:2014-12-09
最終更新日:2021-03-01
公開日:2015-07-29
識別子(ID):2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
D66
D66
表記:N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine
組成式:C17 H26 N2 O5
SMILES:O=C(O)C(NC(=O)C(O)C(N)Cc1ccc(OC)cc1)CC(C)C
InChi:InChI=1S/C17H26N2O5/c1-10(2)8-14(17(22)23)19-16(21)15(20)13(18)9-11-4-6-12(24-3)7-5-11/h4-7,10,13-15,20H,8-9,18H2,1-3H3,(H,19,21)(H,22,23)/t13-,14+,15+/m1/s1
別名:Bestatin-derivative 7c
定義日:2011-01-11
最終更新日:2021-03-01
識別子(ID):N-[(2S,3R)-3-amino-2-hydroxy-4-(4-methoxyphenyl)butanoyl]-L-leucine
T22
T22
表記:2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile
組成式:C18 H21 N5 O2
SMILES:N#Cc1ccccc1CN2C(=O)N(C(=O)C=C2N3CCCC(N)C3)C
InChi:InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
別名:Alogliptin
定義日:2009-02-03
最終更新日:2021-03-01
識別子(ID):2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile
D7P
D7P
表記:D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-D-ORNITHINAMIDE
組成式:C15 H25 N7 O4
SMILES:O=C(N)C(NC(=O)C(N)Cc1ccccc1)CCCNC(=[N@H])NN(O)O
InChi:InChI=1S/C15H25N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12,25-26H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1
別名:D-PHENYLALANINE-D-NITROARGININE AMIDE
定義日:2003-12-18
最終更新日:2021-03-01
識別子(ID):D-phenylalanyl-N~5~-[(E)-(2,2-dihydroxyhydrazino)(imino)methyl]-D-ornithinamide
D7S
D7S
表記:(5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid
組成式:C27 H42 O3
SMILES:O=C(O)C(C)CCCC(C)C4C3(CCC1C(=CCC2CC(=O)CCC12C)C3CC4)C
InChi:InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1
別名:(25S)-delta7-dafachronic acid
定義日:2011-11-18
最終更新日:2021-03-01
識別子(ID):(5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid
T5C
T5C
表記:2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM
組成式:C32 H39 N2 O12 S4
SMILES:O=S(=O)(O)CC[N+]=2c1ccc(cc1C(C=2C=CC=C(C=CC=C4N(c3ccc(cc3C4(C)C)S(=O)(=O)O)CCS(=O)(=O)O)C)(C)C)S(=O)(=O)O
InChi:InChI=1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)/p+1
別名:TETRASULFOCYANINE
定義日:2006-12-03
最終更新日:2021-03-01
識別子(ID):2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3H-indolium
T5F
T5F
表記:(2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid
組成式:C25 H44 N4 O5 S
SMILES:NCCCC[CH](N[S](=O)(=O)N[CH](CC1CCCCC1)C(=O)NC23CC4CC(CC(C4)C2)C3)C(O)=O
InChi:InChI=1S/C25H44N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h17-22,28-29H,1-16,26H2,(H,27,30)(H,31,32)/t18-,19+,20-,21-,22-,25-/m0/s1
別名:tafCPB
定義日:2016-09-28
最終更新日:2021-03-01
公開日:2016-10-26
識別子(ID):(2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid
T5O
T5O
表記:2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)
組成式:C10 H15 N2 O9 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(OC)=C1)CC2O
InChi:InChI=1S/C10H15N2O9P/c1-19-6-3-12(10(15)11-9(6)14)8-2-5(13)7(21-8)4-20-22(16,17)18/h3,5,7-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,7+,8+/m0/s1
別名:5-methoxy-2'-deoxyuridine-5'-phosphate
定義日:2009-08-05
最終更新日:2021-03-01
識別子(ID):2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)

238582

件を2025-07-09に公開中

PDB statisticsPDBj update infoContact PDBjnumon