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
ZLF
ZLF
表記:S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE
組成式:C11 H14 F N O2 S
SMILES:Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1
InChi:InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1
別名:2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid
定義日:2024-01-22
最終更新日:2024-09-27
公開日:2024-04-24
識別子（ID）:2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid
UVQ
UVQ
表記:4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
組成式:C16 H14 F N O3 S
SMILES:Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:InChI=1S/C16H14FNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2
定義日:2021-03-23
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
W6Z
W6Z
表記:1,1,1-tris(fluoranyl)propane-2,2-diol
組成式:C3 H5 F3 O2
SMILES:CC(O)(O)C(F)(F)F
InChi:InChI=1S/C3H5F3O2/c1-2(7,8)3(4,5)6/h7-8H,1H3
定義日:2020-06-06
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:1,1,1-tris(fluoranyl)propane-2,2-diol
S2D
S2D
表記:N-BENZOYL-D-ALANINE
組成式:C10 H11 N O3
SMILES:O=C(NC(C(=O)O)C)c1ccccc1
InChi:InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
定義日:2006-12-23
最終更新日:2024-09-27
識別子（ID）:N-benzoyl-D-alanine
SHW
SHW
表記:S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxyoctanethioate
組成式:C19 H37 N2 O9 P S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CC(O)CCCCC
InChi:InChI=1S/C19H37N2O9PS/c1-4-5-6-7-14(22)12-16(24)32-11-10-20-15(23)8-9-21-18(26)17(25)19(2,3)13-30-31(27,28)29/h14,17,22,25H,4-13H2,1-3H3,(H,20,23)(H,21,26)(H2,27,28,29)/t14-,17-/m1/s1
定義日:2009-10-15
最終更新日:2024-09-27
識別子（ID）:S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxyoctanethioate
TAR
TAR
表記:D(-)-TARTARIC ACID
組成式:C4 H6 O6
SMILES:O=C(O)C(O)C(O)C(=O)O
InChi:InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S,3S)-2,3-dihydroxybutanedioic acid
SVV
SVV
表記:O-[(S)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE
組成式:C3 H9 N2 O5 P
SMILES:O=P(O)(OCC(C(=O)O)N)N
InChi:InChI=1S/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1
定義日:2007-02-13
最終更新日:2024-09-27
識別子（ID）:O-[(S)-amino(hydroxy)phosphoryl]-L-serine
UVT
UVT
表記:4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde
組成式:C12 H15 N O3 S
SMILES:C[CH]1CCCN1[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C12H15NO3S/c1-10-3-2-8-13(10)17(15,16)12-6-4-11(9-14)5-7-12/h4-7,9-10H,2-3,8H2,1H3/t10-/m0/s1
定義日:2021-03-23
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde
IOY
IOY
表記:P-IODO-D-PHENYLALANINE
組成式:C9 H10 I N O2
SMILES:Ic1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
別名:4-IODOPHENYLALANINE
定義日:2004-09-14
最終更新日:2024-09-27
識別子（ID）:4-iodo-D-phenylalanine
SVW
SVW
表記:O-[(R)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE
組成式:C3 H9 N2 O5 P
SMILES:O=P(O)(OCC(C(=O)O)N)N
InChi:InChI=1S/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1
定義日:2007-02-13
最終更新日:2024-09-27
識別子（ID）:O-[(R)-amino(hydroxy)phosphoryl]-L-serine
VQR
VQR
表記:methyl (4~{S})-4-[[(2~{S})-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate
組成式:C24 H35 N3 O6
SMILES:COC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC(C)C)NC(=O)OCc2ccccc2
InChi:InChI=1S/C24H35N3O6/c1-16(2)13-20(27-24(31)33-15-17-7-5-4-6-8-17)23(30)26-19(9-10-21(28)32-3)14-18-11-12-25-22(18)29/h4-8,16,18-20H,9-15H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t18-,19-,20-/m0/s1
定義日:2023-03-28
最終更新日:2024-09-27
公開日:2024-01-17
識別子（ID）:methyl (4~{S})-4-[[(2~{S})-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate
SVX
SVX
表記:O-[(R)-ETHOXY(METHYL)PHOSPHORYL]-L-SERINE
組成式:C6 H14 N O5 P
SMILES:O=P(OCC)(OCC(N)C(=O)O)C
InChi:InChI=1S/C6H14NO5P/c1-3-11-13(2,10)12-4-5(7)6(8)9/h5H,3-4,7H2,1-2H3,(H,8,9)/t5-,13+/m0/s1
定義日:2007-02-13
最終更新日:2024-09-27
識別子（ID）:O-[(R)-ethoxy(methyl)phosphoryl]-L-serine
TAU
TAU
表記:2-AMINOETHANESULFONIC ACID
組成式:C2 H7 N O3 S
SMILES:O=S(=O)(O)CCN
InChi:InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
定義日:2001-12-05
最終更新日:2024-09-27
識別子（ID）:2-aminoethanesulfonic acid
SVY
SVY
表記:O-[BIS(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE
組成式:C9 H20 N O6 P
SMILES:O=C(O)C(N)COP(=O)(OC(C)C)OC(C)C
InChi:InChI=1S/C9H20NO6P/c1-6(2)15-17(13,16-7(3)4)14-5-8(10)9(11)12/h6-8H,5,10H2,1-4H3,(H,11,12)/t8-/m0/s1
定義日:2007-02-13
最終更新日:2024-09-27
識別子（ID）:O-[bis(propan-2-yloxy)phosphoryl]-L-serine
Y0E
Y0E
表記:N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
組成式:C30 H27 N3 O2
SMILES:CC(NC(=O)C(N(C(=O)C=C)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1
InChi:InChI=1S/C30H27N3O2/c1-3-28(34)33(27-18-16-25(17-19-27)24-13-8-5-9-14-24)29(26-15-10-20-31-21-26)30(35)32-22(2)23-11-6-4-7-12-23/h3-22,29H,1H2,2H3,(H,32,35)/t22-,29+/m0/s1
定義日:2022-12-19
最終更新日:2024-09-27
公開日:2023-08-09
識別子（ID）:N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
UHQ
UHQ
表記:4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
組成式:C14 H20 N2 O3 S
SMILES:CN(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3
定義日:2021-02-23
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
SVZ
SVZ
表記:O-[(S)-HYDROXY(ISOPROPYLAMINO)PHOSPHORYL]-L-SERINE
組成式:C6 H15 N2 O5 P
SMILES:O=P(O)(OCC(N)C(=O)O)NC(C)C
InChi:InChI=1S/C6H15N2O5P/c1-4(2)8-14(11,12)13-3-5(7)6(9)10/h4-5H,3,7H2,1-2H3,(H,9,10)(H2,8,11,12)/t5-/m0/s1
定義日:2007-02-13
最終更新日:2024-09-27
識別子（ID）:O-{(R)-hydroxy[(1-methylethyl)amino]phosphoryl}-L-serine
U44
U44
表記:(2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
組成式:C11 H22 N2 O3 S
SMILES:C(S)CNC(CCNC(=O)C(C(C)(C)C)O)=O
InChi:InChI=1S/C11H22N2O3S/c1-11(2,3)9(15)10(16)13-5-4-8(14)12-6-7-17/h9,15,17H,4-7H2,1-3H3,(H,12,14)(H,13,16)/t9-/m0/s1
定義日:2020-04-16
最終更新日:2024-09-27
公開日:2020-07-01
識別子（ID）:(2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
SI3
SI3
表記:5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid
組成式:C11 H19 N O9
SMILES:O=C(O)C(=O)CC(O)C(NC(=O)C)C(O)C(O)C(O)CO
InChi:InChI=1S/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)/t5-,7+,8+,9+,10+/m0/s1
別名:N-acetylneuraminic acid, ketone form
定義日:2013-01-04
最終更新日:2024-09-27
公開日:2013-11-06
識別子（ID）:5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid
XK6
XK6
表記:8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
組成式:C10 H6 F N O5 S
SMILES:FS(=O)(=O)c1cccc2c1NC=C(C2=O)C(=O)O
InChi:InChI=1S/C10H6FNO5S/c11-18(16,17)7-3-1-2-5-8(7)12-4-6(9(5)13)10(14)15/h1-4H,(H,12,13)(H,14,15)
定義日:2023-11-03
最終更新日:2024-09-27
公開日:2024-09-25
識別子（ID）:8-(fluorosulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
JX6
JX6
表記:N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
組成式:C22 H33 N3 O5
SMILES:CC(C)(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)CO
InChi:InChI=1S/C22H33N3O5/c1-22(2,3)12-18(25-21(29)30-14-15-7-5-4-6-8-15)20(28)24-17(13-26)11-16-9-10-23-19(16)27/h4-8,16-18,26H,9-14H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t16-,17+,18-/m0/s1
定義日:2023-08-09
最終更新日:2024-09-27
公開日:2024-08-14
識別子（ID）:N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
3VT
3VT
表記:[(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid
組成式:C15 H15 B N2 O5
SMILES:O=C(O)CC3OB(O)c2cc(Oc1nccnc1)c(c(c23)C)C
InChi:InChI=1S/C15H15BN2O5/c1-8-9(2)15-10(16(21)23-12(15)6-14(19)20)5-11(8)22-13-7-17-3-4-18-13/h3-5,7,12,21H,6H2,1-2H3,(H,19,20)/t12-/m1/s1
定義日:2014-11-19
最終更新日:2024-09-27
公開日:2015-08-05
識別子（ID）:[(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid
S2K
S2K
表記:(2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid
組成式:C12 H21 N3 O7
SMILES:N[CH](CCC[CH](NC(=O)CC[CH](N)C(O)=O)C(O)=O)C(O)=O
InChi:InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8-/m0/s1
定義日:2020-11-06
最終更新日:2024-09-27
公開日:2021-10-06
識別子（ID）:(2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid
Y0I
Y0I
表記:(3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide
組成式:C30 H28 N4 O2
SMILES:CC(NC(=O)C(N(C(=O)CC=N)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1
InChi:InChI=1S/C30H28N4O2/c1-22(23-9-4-2-5-10-23)33-30(36)29(26-13-8-20-32-21-26)34(28(35)18-19-31)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-17,19-22,29,31H,18H2,1H3,(H,33,36)/t22-,29+/m0/s1
定義日:2022-12-19
最終更新日:2024-09-27
公開日:2023-08-09
識別子（ID）:(3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide
UHS
UHS
表記:N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
組成式:C21 H30 N4 O3
SMILES:N(C(C)(C)C)C(=O)C(N(c1noc(C(C)(C)C)c1)C(=O)CC)c2cnccc2
InChi:InChI=1S/C21H30N4O3/c1-8-17(26)25(16-12-15(28-24-16)20(2,3)4)18(14-10-9-11-22-13-14)19(27)23-21(5,6)7/h9-13,18H,8H2,1-7H3,(H,23,27)/t18-/m1/s1
定義日:2020-05-18
最終更新日:2024-09-27
公開日:2020-05-27
識別子（ID）:N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide

225946

件を2024-10-09に公開中

PDB statisticsPDBj update infoContact PDBjnumon