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 FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PXY
PXY
表記:PARA-XYLENE
組成式:C8 H10
SMILES:c1cc(ccc1C)C
InChi:InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1,4-dimethylbenzene
TZK
TZK
表記:4-(4-methylphenyl)sulfonylmorpholine
組成式:C11 H15 N O3 S
SMILES:Cc1ccc(cc1)[S](=O)(=O)N2CCOCC2
InChi:InChI=1S/C11H15NO3S/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3
定義日:2021-01-14
最終更新日:2024-09-27
公開日:2021-09-15
識別子（ID）:4-(4-methylphenyl)sulfonylmorpholine
PXZ
PXZ
表記:2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE
組成式:C16 H12 N2 O6
SMILES:O=CC=2C1=Nc3c(OC1=C(C(=O)C=2N)C)c(ccc3C=O)C
InChi:InChI=1S/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23)
別名:PHENOXAZINE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde
PY0
PY0
表記:(1S,2S)-1-amino-1,2-dihydroxypropan-1-olate
組成式:C3 H8 N O3
SMILES:[O-]C(O)(N)C(O)C
InChi:InChI=1S/C3H8NO3/c1-2(5)3(4,6)7/h2,5-6H,4H2,1H3/q-1/t2-,3+/m0/s1
定義日:2009-01-21
最終更新日:2024-09-27
識別子（ID）:(1S,2S)-1-amino-1,2-dihydroxypropan-1-olate
UED
UED
表記:N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
組成式:C21 H31 N3 O5
SMILES:C(OC(=O)NC(C(NC(CO)CC1C(NCC1)=O)=O)CC(C)C)c2ccccc2
InChi:InChI=1S/C21H31N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
別名:GC373 bound form, GC376 bound form
定義日:2020-05-11
最終更新日:2024-09-27
公開日:2020-05-20
識別子（ID）:N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
IZS
IZS
表記:ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methyl-amino]ethanoate
組成式:C13 H21 N3 O2
SMILES:CCOC(=O)CN(C)c1nc(CC)cc(CC)n1
InChi:InChI=1S/C13H21N3O2/c1-5-10-8-11(6-2)15-13(14-10)16(4)9-12(17)18-7-3/h8H,5-7,9H2,1-4H3
定義日:2023-08-04
最終更新日:2024-09-27
公開日:2023-10-25
識別子（ID）:ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methyl-amino]ethanoate
KMF
KMF
表記:N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
組成式:C19 H23 N3 O2
SMILES:CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc32)CC1
InChi:InChI=1S/C19H23N3O2/c1-15(23)22-13-11-21(12-14-22)10-9-20-19(24)18-8-4-6-16-5-2-3-7-17(16)18/h2-8H,9-14H2,1H3,(H,20,24)
定義日:2023-08-14
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
A5N
A5N
表記:O-carboxy-4-imino-L-homoserine
組成式:C5 H8 N2 O5
SMILES:O=C(O)C(N)CC(=[N@H])OC(=O)O
InChi:InChI=1S/C5H8N2O5/c6-2(4(8)9)1-3(7)12-5(10)11/h2,7H,1,6H2,(H,8,9)(H,10,11)/b7-3+/t2-/m0/s1
定義日:2010-07-04
最終更新日:2024-09-27
識別子（ID）:O-carboxy-4-imino-L-homoserine
ZU0
ZU0
表記:O-tert-butyl-L-threonine
組成式:C8 H17 N O3
SMILES:O=C(O)C(N)C(OC(C)(C)C)C
InChi:InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1
定義日:2008-12-10
最終更新日:2024-09-27
識別子（ID）:O-tert-butyl-L-threonine
LFI
LFI
表記:1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one
組成式:C12 H18 Br3 N3 O3
SMILES:BrCCC(=O)N1CN(CN(C1)C(=O)CCBr)C(=O)CCBr
InChi:InChI=1S/C12H18Br3N3O3/c13-4-1-10(19)16-7-17(11(20)2-5-14)9-18(8-16)12(21)3-6-15/h1-9H2
別名:Chemical crosslinker
定義日:2022-07-01
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one
A5O
A5O
表記:ADENINE ARABINOSE-5'-PHOSPHATE
組成式:C10 H14 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1
定義日:2009-10-09
最終更新日:2024-09-27
識別子（ID）:9-(5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine
WIG
WIG
表記:6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-[(4-fluorophenyl)methyl]-5-methyl-1,2,3-benzotriazin-4-one
組成式:C21 H18 F N5 O3
SMILES:Cn1nc(C)c(c1O)C(=O)c2ccc3N=NN(Cc4ccc(F)cc4)C(=O)c3c2C
InChi:InChI=1S/C21H18FN5O3/c1-11-15(19(28)18-12(2)24-26(3)20(18)29)8-9-16-17(11)21(30)27(25-23-16)10-13-4-6-14(22)7-5-13/h4-9,29H,10H2,1-3H3
定義日:2023-10-04
最終更新日:2024-09-27
公開日:2024-10-02
識別子（ID）:6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-[(4-fluorophenyl)methyl]-5-methyl-1,2,3-benzotriazin-4-one
ZU3
ZU3
表記:N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}pentyl]-L-leucinamide
組成式:C32 H49 N5 O7
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C)CC(C)C)CNC(=O)C(C)(C)C
InChi:InChI=1S/C32H49N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,20,23-26H,12-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,24+,25-,26-/m0/s1
別名:TG-0204998
定義日:2008-10-30
最終更新日:2024-09-27
識別子（ID）:N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hexan-2-yl}-L-leucinamide
UEG
UEG
表記:4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
組成式:C8 H11 N O3
SMILES:Oc1c(c(cnc1C)CO)CO
InChi:InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
定義日:2013-09-12
最終更新日:2024-09-27
公開日:2014-03-19
識別子（ID）:4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
W1U
W1U
表記:N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-[(2R)-2-phenylazetidine-1-carbonyl]-L-leucinamide
組成式:C24 H36 N4 O4
SMILES:O=C(NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO)N1CCC1c1ccccc1
InChi:InChI=1S/C24H36N4O4/c1-24(2,3)14-19(22(31)26-18(15-29)13-17-9-11-25-21(17)30)27-23(32)28-12-10-20(28)16-7-5-4-6-8-16/h4-8,17-20,29H,9-15H2,1-3H3,(H,25,30)(H,26,31)(H,27,32)/t17-,18+,19-,20+/m0/s1
定義日:2023-09-21
最終更新日:2024-09-27
公開日:2024-09-25
識別子（ID）:N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-[(2R)-2-phenylazetidine-1-carbonyl]-L-leucinamide
A5P
A5P
表記:ARABINOSE-5-PHOSPHATE
組成式:C5 H13 O8 P
SMILES:O=P(O)(O)OCC(O)C(O)C(O)CO
InChi:InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1
定義日:2000-10-06
最終更新日:2024-09-27
識別子（ID）:5-O-phosphono-D-arabinitol
ZCI
ZCI
表記:2-bromo-1H-imidazole
組成式:C3 H3 Br N2
SMILES:Brc1ncc[NH]1
InChi:InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:2-bromo-1H-imidazole
PY4
PY4
表記:2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID
組成式:C12 H19 N2 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC
InChi:InChI=1S/C12H19N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h4,10,14-15H,3,5-6H2,1-2H3,(H,16,17)(H2,18,19,20)/t10-/m1/s1
別名:VITAMIN B6 COMPLEXED WITH 2-AMINO-BUTYRIC ACID
定義日:1999-08-18
最終更新日:2024-09-27
識別子（ID）:(2R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid
I5M
I5M
表記:5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine
組成式:C27 H44 N9 O11 P S2
SMILES:O=P(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CCCN1
InChi:InChI=1S/C27H44N9O11PS2/c1-27(2,12-46-48(42)43)22(40)25(41)31-7-5-18(37)30-8-9-49-17(15-4-3-6-29-15)11-50(44,45)35-10-16-20(38)21(39)26(47-16)36-14-34-19-23(28)32-13-33-24(19)36/h13-17,20-22,26,29,35,38-40H,3-12H2,1-2H3,(H,30,37)(H,31,41)(H2,28,32,33)/t15-,16+,17+,20+,21+,22-,26+/m0/s1
定義日:2022-01-13
最終更新日:2024-09-27
公開日:2022-07-20
識別子（ID）:5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine
XD1
XD1
表記:(2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
組成式:C8 H14 N2 O3 S
SMILES:O=C(O)C1NC(SC1(C)C)C(N)C=O
InChi:InChI=1S/C8H14N2O3S/c1-8(2)5(7(12)13)10-6(14-8)4(9)3-11/h3-6,10H,9H2,1-2H3,(H,12,13)/t4-,5+,6-/m1/s1
別名:6-aminopenicillian, bound form
定義日:2010-06-08
最終更新日:2024-09-27
識別子（ID）:(2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
ZU5
ZU5
表記:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-[(1R)-4-cyclopropyl-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-leucinamide
組成式:C34 H52 N4 O7
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C3CC3)CC(C)C)C(OC(C)(C)C)C
InChi:InChI=1S/C34H52N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,21-22,24-27,29H,12-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22-,25+,26-,27+,29+/m1/s1
別名:TG-0205486
定義日:2008-12-10
最終更新日:2024-09-27
識別子（ID）:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2R)-5-cyclopropyl-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide
ZCL
ZCL
表記:3,4-dichloro-L-phenylalanine
組成式:C9 H9 Cl2 N O2
SMILES:Clc1ccc(cc1Cl)CC(C(=O)O)N
InChi:InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
定義日:2010-12-29
最終更新日:2024-09-27
識別子（ID）:3,4-dichloro-L-phenylalanine
A5R
A5R
表記:amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium
組成式:C11 H23 N4 O3
SMILES:O=C(CCCCC(=O)O)C(N)CCCNC(=[NH2+])N
InChi:InChI=1S/C11H22N4O3/c12-8(4-3-7-15-11(13)14)9(16)5-1-2-6-10(17)18/h8H,1-7,12H2,(H,17,18)(H4,13,14,15)/p+1/t8-/m0/s1
定義日:2011-01-28
最終更新日:2024-09-27
識別子（ID）:amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium
XD2
XD2
表記:(2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
組成式:C18 H20 N6 O5 S2
SMILES:O=CC(NC(=O)C(O)c1ccccc1)C2SCC(=C(N2)C(=O)O)CSc3nnnn3C
InChi:InChI=1S/C18H20N6O5S2/c1-24-18(21-22-23-24)31-9-11-8-30-16(20-13(11)17(28)29)12(7-25)19-15(27)14(26)10-5-3-2-4-6-10/h2-7,12,14,16,20,26H,8-9H2,1H3,(H,19,27)(H,28,29)/t12-,14-,16-/m1/s1
別名:Cefamandole, bound form
定義日:2010-06-09
最終更新日:2024-09-27
識別子（ID）:(2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
IL0
IL0
表記:(2S,3S)-2-amino-3-methylpentane-1,1-diol
組成式:C6 H15 N O2
SMILES:OC(O)C(N)C(C)CC
InChi:InChI=1S/C6H15NO2/c1-3-4(2)5(7)6(8)9/h4-6,8-9H,3,7H2,1-2H3/t4-,5-/m0/s1
定義日:2011-02-18
最終更新日:2024-09-27
識別子（ID）:(2S,3S)-2-amino-3-methylpentane-1,1-diol

227344

件を2024-11-13に公開中

PDB statisticsPDBj update infoContact PDBjnumon