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
WTV
WTV
表記:N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2R)-oxolan-2-yl]-3-[(3R)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide
組成式:C34 H44 F N3 O7
SMILES:Fc1ccc(cc1)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCO1)CC1CCOC1=O
InChi:InChI=1S/C34H44FN3O7/c1-22(2)17-29(31(39)36-27(20-28-9-6-15-43-28)19-25-14-16-44-33(25)41)37-32(40)30(18-23-10-12-26(35)13-11-23)38-34(42)45-21-24-7-4-3-5-8-24/h3-5,7-8,10-13,22,25,27-30H,6,9,14-21H2,1-2H3,(H,36,39)(H,37,40)(H,38,42)/t25-,27+,28+,29-,30-/m0/s1
定義日:2023-10-12
最終更新日:2024-09-27
公開日:2024-02-14
識別子（ID）:N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2R)-oxolan-2-yl]-3-[(3R)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide
VKC
VKC
表記:(2-hydroxyethoxy)acetic acid
組成式:C4 H8 O4
SMILES:[O-]C(=O)COCCO
InChi:InChI=1S/C4H8O4/c5-1-2-8-3-4(6)7/h5H,1-3H2,(H,6,7)/p-1
定義日:2013-10-29
最終更新日:2024-09-27
公開日:2014-01-22
識別子（ID）:(2-hydroxyethoxy)acetate
ZE9
ZE9
表記:1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one
組成式:C14 H16 N2 O3
SMILES:CC(=O)N1NC(CC1c1ccco1)c1ccc(C)o1
InChi:InChI=1S/C14H16N2O3/c1-9-5-6-13(19-9)11-8-12(14-4-3-7-18-14)16(15-11)10(2)17/h3-7,11-12,15H,8H2,1-2H3/t11-,12-/m1/s1
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one
SBZ
SBZ
表記:[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINE
組成式:C10 H14 B N2 O3
SMILES:O(B1OCCO1)Cc2ccc(C(=[NH2+])N)cc2
InChi:InChI=1S/C10H13BN2O3/c12-10(13)9-3-1-8(2-4-9)7-16-11-14-5-6-15-11/h1-4H,5-7H2,(H3,12,13)/p+1
定義日:2004-02-02
最終更新日:2024-09-27
識別子（ID）:amino{4-[(1,3,2-dioxaborolan-2-yloxy)methyl]phenyl}methaniminium
RXL
RXL
表記:Dehydrovaline
組成式:C5 H9 N O2
SMILES:CC(C)=C(N)C(O)=O
InChi:InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H,7,8)
別名:2-azanyl-3-methyl-but-2-enoic acid
定義日:2022-12-09
最終更新日:2024-09-27
公開日:2023-01-18
識別子（ID）:2-azanyl-3-methyl-but-2-enoic acid
MNB
MNB
表記:5-MERCAPTO-2-NITRO-BENZOIC ACID
組成式:C7 H5 N O4 S
SMILES:O=[N+]([O-])c1c(cc(S)cc1)C(=O)O
InChi:InChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)
定義日:2000-06-08
最終更新日:2024-09-27
識別子（ID）:2-nitro-5-sulfanylbenzoic acid
PXA
PXA
表記:2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE
組成式:C15 H11 N3 O6
SMILES:O=CC=2C1=Nc3c(ncc(c3OC1=C(C(=O)C=2N)C)C)C=O
InChi:InChI=1S/C15H11N3O6/c1-4-3-17-10(15(22)23)9-12(4)24-13-5(2)11(19)7(16)6(14(20)21)8(13)18-9/h3H,16H2,1-2H3,(H,20,21)(H,22,23)
別名:(8-AZA)PHENOXAZINE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:8-amino-4,6-dimethyl-7-oxo-7H-pyrido[4,3-b][1,4]benzoxazine-1,9-dicarbaldehyde
V52
V52
表記:1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
組成式:C24 H23 Cl N6 O2
SMILES:CCC(=O)N1CCN2[CH](COc3c(Cl)c(cc4ncnc2c34)c5c(C)ccc6n[nH]cc56)C1
InChi:InChI=1S/C24H23ClN6O2/c1-3-19(32)30-6-7-31-14(10-30)11-33-23-21-18(26-12-27-24(21)31)8-15(22(23)25)20-13(2)4-5-17-16(20)9-28-29-17/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,28,29)/t14-/m0/s1
定義日:2021-04-14
最終更新日:2024-09-27
公開日:2022-04-20
1OL
1OL
表記:(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
組成式:C10 H21 N O3
SMILES:O=C(O)C(C)CC(O)C(N)CC(C)C
InChi:InChI=1S/C10H21NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-9,12H,4-5,11H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1
別名:Leu*Ala
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
MND
MND
表記:N-methyl-D-asparagine
組成式:C5 H10 N2 O3
SMILES:O=C(NC)CC(N)C(=O)O
InChi:InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
定義日:2008-06-02
最終更新日:2024-09-27
識別子（ID）:N-methyl-D-asparagine
V53
V53
表記:8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid
組成式:C11 H11 N2 O6 P
SMILES:Nc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O
InChi:InChI=1S/C11H11N2O6P/c12-7-3-1-2-6-9(19-5-20(16,17)18)4-8(11(14)15)13-10(6)7/h1-4H,5,12H2,(H,14,15)(H2,16,17,18)
定義日:2023-02-21
最終更新日:2024-09-27
公開日:2023-07-19
識別子（ID）:8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid
TM8
TM8
表記:Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide
組成式:C33 H34 N2 O5 S
SMILES:N(C(OCc1ccccc1)=O)C(Cc2ccccc2)C(=O)NC(CCS(c3ccccc3)(=O)=O)Cc4ccccc4
InChi:InChI=1S/C33H34N2O5S/c36-32(31(24-27-15-7-2-8-16-27)35-33(37)40-25-28-17-9-3-10-18-28)34-29(23-26-13-5-1-6-14-26)21-22-41(38,39)30-19-11-4-12-20-30/h1-20,29,31H,21-25H2,(H,34,36)(H,35,37)/t29-,31+/m1/s1
定義日:2019-11-07
最終更新日:2024-09-27
公開日:2020-11-25
識別子（ID）:Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide
NUO
NUO
表記:2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide
組成式:C19 H26 Cl N3 O2
SMILES:ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC2)Nc3ccccc3
InChi:InChI=1S/C19H26ClN3O2/c20-13-17(24)21-14-15-7-11-23(12-8-15)18(25)19(9-4-10-19)22-16-5-2-1-3-6-16/h1-3,5-6,15,22H,4,7-14H2,(H,21,24)
定義日:2022-08-23
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide
SC2
SC2
表記:N-ACETYL-L-CYSTEINE
組成式:C5 H9 N O3 S
SMILES:O=C(NC(C(=O)O)CS)C
InChi:InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
別名:(2R)-2-acetamido-3-sulfanyl-propanoic acid
定義日:2006-08-11
最終更新日:2024-09-27
識別子（ID）:N-acetyl-L-cysteine
VKH
VKH
表記:(1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
組成式:C7 H16 N O4
SMILES:[NH3+][CH]1C[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C7H15NO4/c8-4-1-5(10)7(12)6(11)3(4)2-9/h3-7,9-12H,1-2,8H2/p+1/t3-,4-,5+,6+,7+/m0/s1
定義日:2021-05-25
最終更新日:2024-09-27
公開日:2022-02-02
識別子（ID）:[(1~{S},2~{R},3~{R},4~{R},5~{R})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]azanium
V56
V56
表記:(4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione
組成式:C24 H36 Cl N3 O5
SMILES:O=C1OC(CCCCCNC(CCC(NC(C(N1)CC(C)C)=O)CO)=O)c2cc(ccc2)Cl
InChi:InChI=1S/C24H36ClN3O5/c1-16(2)13-20-23(31)27-19(15-29)10-11-22(30)26-12-5-3-4-9-21(33-24(32)28-20)17-7-6-8-18(25)14-17/h6-8,14,16,19-21,29H,3-5,9-13,15H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)/t19-,20-,21-/m0/s1
定義日:2016-09-30
最終更新日:2024-09-27
公開日:2017-01-11
識別子（ID）:(4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione
1OP
1OP
表記:O-(5-hydroxypentyl)-L-tyrosine
組成式:C14 H21 N O4
SMILES:O=C(O)C(N)Cc1ccc(OCCCCCO)cc1
InChi:InChI=1S/C14H21NO4/c15-13(14(17)18)10-11-4-6-12(7-5-11)19-9-3-1-2-8-16/h4-7,13,16H,1-3,8-10,15H2,(H,17,18)/t13-/m0/s1
定義日:2013-04-11
最終更新日:2024-09-27
公開日:2013-06-12
識別子（ID）:O-(5-hydroxypentyl)-L-tyrosine
RXR
RXR
表記:[2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-yl]oxidanyl radical
組成式:C10 H18 N O S2
SMILES:ON1C(C(=C(CS)C1(C)C)CS)(C)C
InChi:InChI=1S/C10H19NOS2/c1-9(2)7(5-13)8(6-14)10(3,4)11(9)12/h12-14H,5-6H2,1-4H3
別名:3,4-bis(thiomethyl)-2,2,5,5-tetramethyl-1H-Pyrrol-1-yloxyl radical
定義日:2010-01-08
最終更新日:2024-09-27
識別子（ID）:2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-ol
PXF
PXF
表記:2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-8-FLUORO-3-OXOPHENOXAZINE
組成式:C16 H11 F N2 O6
SMILES:C1(C=O)=C(N)C(=O)C(=C2Oc3c(cc(F)c(C=O)c3N=C12)C)C
InChi:InChI=1S/C16H11FN2O6/c1-4-3-6(17)7(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3H,18H2,1-2H3,(H,21,22)(H,23,24)
別名:8-FLUORO-PHENOXAZINE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-amino-8-fluoro-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde
WU5
WU5
表記:(5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name)
組成式:C25 H41 F O2
SMILES:FCC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
InChi:InChI=1S/C25H41FO2/c1-16(4-6-19(28)15-26)21-8-9-22-20-7-5-17-14-18(27)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-18,20-23,27H,4-15H2,1-3H3/t16-,17-,18-,20+,21-,22+,23+,24+,25-/m1/s1
定義日:2022-10-19
最終更新日:2024-09-27
公開日:2023-11-01
識別子（ID）:(5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name)
T5N
T5N
表記:2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
組成式:C12 H16 Br N O2 S
SMILES:CC(C)(Oc1ccc(Br)cc1)C(=O)NCCS
InChi:InChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)
定義日:2020-12-15
最終更新日:2024-09-27
公開日:2021-07-07
識別子（ID）:2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
ZEK
ZEK
表記:3-acetamido-N-methylbenzamide
組成式:C10 H12 N2 O2
SMILES:O=C(C)Nc1cc(ccc1)C(=O)NC
InChi:InChI=1S/C10H12N2O2/c1-7(13)12-9-5-3-4-8(6-9)10(14)11-2/h3-6H,1-2H3,(H,11,14)(H,12,13)
定義日:2023-06-23
最終更新日:2024-09-27
公開日:2023-07-12
識別子（ID）:3-acetamido-N-methylbenzamide
U0R
U0R
表記:5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde
組成式:C13 H8 Br2 Cl N O2
SMILES:O=Cc1ncc(Br)cc1OCc1cc(Br)ccc1Cl
InChi:InChI=1S/C13H8Br2ClNO2/c14-9-1-2-11(16)8(3-9)7-19-13-4-10(15)5-17-12(13)6-18/h1-6H,7H2
定義日:2022-08-01
最終更新日:2024-09-27
公開日:2023-07-05
識別子（ID）:5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde
WEH
WEH
表記:L-Homoglutamine
組成式:C6 H12 N2 O3
SMILES:N[CH](CCCC(N)=O)C(O)=O
InChi:InChI=1S/C6H12N2O3/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m1/s1
別名:(2~{S})-2,6-bis(azanyl)-6-oxidanylidene-hexanoic acid
定義日:2023-10-03
最終更新日:2024-09-27
公開日:2024-03-27
識別子（ID）:(2~{S})-2,6-bis(azanyl)-6-oxidanylidene-hexanoic acid
PXH
PXH
表記:(2~{R},4~{S})-5,5-dimethyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid
組成式:C15 H21 N O4 S2
SMILES:CC1(C)S[CH](N[CH]1C(O)=O)[CH](C=O)[CH](O)CCc2sccc2
InChi:InChI=1S/C15H21NO4S2/c1-15(2)12(14(19)20)16-13(22-15)10(8-17)11(18)6-5-9-4-3-7-21-9/h3-4,7-8,10-13,16,18H,5-6H2,1-2H3,(H,19,20)/t10-,11-,12+,13-/m1/s1
定義日:2017-08-08
最終更新日:2024-09-27
公開日:2017-09-27
識別子（ID）:(2~{R},4~{S})-5,5-dimethyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-5-thiophen-2-yl-pentan-2-yl]-1,3-thiazolidine-4-carboxylic acid

243911

件を2025-10-29に公開中

PDB statisticsPDBj update infoContact PDBjnumon