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
SJ1
SJ1
表記:N-(ISOBUTOXYCARBONYL)-D-SERYL-N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-L-ALANINAMIDE
組成式:C17 H32 N6 O6
SMILES:O=C(NC(C(=O)NC(C=O)CCCNC(=[N@H])N)C)C(NC(=O)OCC(C)C)CO
InChi:InChI=1S/C17H32N6O6/c1-10(2)9-29-17(28)23-13(8-25)15(27)21-11(3)14(26)22-12(7-24)5-4-6-20-16(18)19/h7,10-13,25H,4-6,8-9H2,1-3H3,(H,21,27)(H,22,26)(H,23,28)(H4,18,19,20)/t11-,12-,13+/m0/s1
定義日:2004-06-15
最終更新日:2024-09-27
識別子（ID）:N-[(2-methylpropoxy)carbonyl]-D-seryl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-alaninamide
SJ2
SJ2
表記:~{N}-[(2~{S})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{N}-methyl-ethanamide
組成式:C9 H20 N4 O2
SMILES:CN([CH](CO)CCCNC(N)=N)C(C)=O
InChi:InChI=1S/C9H20N4O2/c1-7(15)13(2)8(6-14)4-3-5-12-9(10)11/h8,14H,3-6H2,1-2H3,(H4,10,11,12)/t8-/m0/s1
定義日:2020-11-16
最終更新日:2024-09-27
公開日:2021-12-01
識別子（ID）:~{N}-[(2~{S})-5-carbamimidamido-1-oxidanyl-pentan-2-yl]-~{N}-methyl-ethanamide
TRX
TRX
表記:6-HYDROXYTRYPTOPHAN
組成式:C11 H12 N2 O3
SMILES:O=C(O)C(N)Cc2c1ccc(O)cc1nc2
InChi:InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-4-7(14)1-2-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
定義日:2001-10-29
最終更新日:2024-09-27
識別子（ID）:6-hydroxy-L-tryptophan
PAQ
PAQ
表記:2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE
組成式:C14 H16 N4 O4
SMILES:O=C(O)C(N)CC2C=C(NNc1ncccc1)C(O)=CC2=O
InChi:InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-[(1R)-4-hydroxy-6-oxo-3-(2-pyridin-2-ylhydrazino)cyclohexa-2,4-dien-1-yl]-L-alanine
MTX
MTX
表記:METHOTREXATE
組成式:C20 H22 N8 O5
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3N)N)CCC(=O)O
InChi:InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid
RB6
RB6
表記:(2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
組成式:C20 H24 N8 O6 S2
SMILES:O=C(O)C=1NC(SCC=1CC2=CCN(C2=O)C3CCNC3)C(C=O)NC(=O)C(=NO)/c4nc(sn4)N
InChi:InChI=1S/C20H24N8O6S2/c21-20-25-15(27-36-20)14(26-34)16(30)23-12(7-29)17-24-13(19(32)33)10(8-35-17)5-9-2-4-28(18(9)31)11-1-3-22-6-11/h2,7,11-12,17,22,24,34H,1,3-6,8H2,(H,23,30)(H,32,33)(H2,21,25,27)/b26-14-/t11-,12-,17-/m1/s1
別名:BAL 9141, bound form
定義日:2012-04-20
最終更新日:2024-09-27
識別子（ID）:(2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyrrolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
OGQ
OGQ
表記:[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
組成式:C33 H32 N3 O4
SMILES:CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCc5ccc(C)cc5)=[N+](C)C)c1
InChi:InChI=1S/C33H31N3O4/c1-20-6-8-21(9-7-20)19-34-32(37)22-10-13-25(33(38)39)28(16-22)31-26-14-11-23(35(2)3)17-29(26)40-30-18-24(36(4)5)12-15-27(30)31/h6-18H,19H2,1-5H3,(H-,34,37,38,39)/p+1
定義日:2020-03-06
最終更新日:2024-09-27
公開日:2021-03-31
識別子（ID）:[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
MTY
MTY
表記:META-TYROSINE
組成式:C9 H11 N O3
SMILES:O=C(O)C(N)Cc1cc(O)ccc1
InChi:InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-hydroxy-L-phenylalanine
Q53
Q53
表記: (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
組成式:C16 H19 N3 O5 S
SMILES:CC1=C(N[CH](SC1)[CH](NC(=O)[CH](N)c2ccccc2)C(O)=O)C(O)=O
InChi:InChI=1S/C16H19N3O5S/c1-8-7-25-14(19-11(8)15(21)22)12(16(23)24)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10,12,14,19H,7,17H2,1H3,(H,18,20)(H,21,22)(H,23,24)/t10-,12+,14-/m1/s1
別名:cephalexin
定義日:2023-03-23
最終更新日:2024-09-27
公開日:2024-05-15
識別子（ID）:(2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-methyl-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid
PAT
PAT
表記:ALPHA-PHOSPHONO-TRYPTOPHAN
組成式:C11 H13 N2 O5 P
SMILES:O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2
InChi:InChI=1S/C11H13N2O5P/c12-11(10(14)15,19(16,17)18)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5,12H2,(H,14,15)(H2,16,17,18)
定義日:2001-03-12
最終更新日:2024-09-27
識別子（ID）:alpha-phosphono-L-tryptophan
8PM
8PM
表記:N~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-N-hexyl-N~2~-methylglycinamide
組成式:C17 H27 N5 O3 S2
SMILES:c1(c2c(c(N(C)C)cc1)nsn2)S(=O)(N(C)CC(NCCCCCC)=O)=O
InChi:InChI=1S/C17H27N5O3S2/c1-5-6-7-8-11-18-15(23)12-22(4)27(24,25)14-10-9-13(21(2)3)16-17(14)20-26-19-16/h9-10H,5-8,11-12H2,1-4H3,(H,18,23)
定義日:2017-02-26
最終更新日:2024-09-27
公開日:2017-03-08
識別子（ID）:N~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-N-hexyl-N~2~-methylglycinamide
SJ8
SJ8
表記:(~{E})-3-(4-fluorophenyl)prop-2-enoic acid
組成式:C9 H7 F O2
SMILES:OC(=O)C=Cc1ccc(F)cc1
InChi:InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
定義日:2020-11-16
最終更新日:2024-09-27
公開日:2021-12-01
識別子（ID）:(~{E})-3-(4-fluorophenyl)prop-2-enoic acid
QJE
QJE
表記:3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
組成式:C15 H33 N O7
SMILES:NCCOCCOCCOCCOCCOCCOCCCO
InChi:InChI=1S/C15H33NO7/c16-2-5-19-7-9-21-11-13-23-15-14-22-12-10-20-8-6-18-4-1-3-17/h17H,1-16H2
定義日:2020-06-18
最終更新日:2024-09-27
公開日:2020-12-02
識別子（ID）:3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
L7S
L7S
表記:3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
組成式:C13 H14 N2 O3
SMILES:O=C2N(C(=O)CC2c1cccc(C(=O)N)c1)CC
InChi:InChI=1S/C13H14N2O3/c1-2-15-11(16)7-10(13(15)18)8-4-3-5-9(6-8)12(14)17/h3-6,10H,2,7H2,1H3,(H2,14,17)/t10-/m1/s1
定義日:2014-07-02
最終更新日:2024-09-27
公開日:2015-03-04
識別子（ID）:3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
Q56
Q56
表記:N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
組成式:C25 H33 N3 O8 S
SMILES:CC(C)CC(NC(=O)OCc1cc2ccccc2cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C25H33N3O8S/c1-15(2)11-20(28-25(32)36-14-16-7-8-17-5-3-4-6-18(17)12-16)23(30)27-21(24(31)37(33,34)35)13-19-9-10-26-22(19)29/h3-8,12,15,19-21,24,31H,9-11,13-14H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t19-,20-,21-,24-/m0/s1
定義日:2022-01-19
最終更新日:2024-09-27
公開日:2022-05-04
識別子（ID）:(1S,2S)-1-hydroxy-2-[(N-{[(naphthalen-2-yl)methoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
TCK
TCK
表記:N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide
組成式:C14 H21 Cl N2 O3 S
SMILES:O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1)C
InChi:InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1
別名:Tos-Lys-CH2Cl
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide
OGU
OGU
表記:2,3-diOH-butyric acid
組成式:C4 H8 O4
SMILES:C[CH](O)[CH](O)C(O)=O
InChi:InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m0/s1
別名:(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid
定義日:2022-09-07
最終更新日:2024-09-27
公開日:2023-08-16
識別子（ID）:(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid
L7U
L7U
表記:~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
組成式:C26 H37 N3 O3 S2
SMILES:COc1ccc2cc(ccc2c1)[CH](C)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C
InChi:InChI=1S/C26H37N3O3S2/c1-19(21-5-6-23-18-24(32-4)8-7-22(23)17-21)26(31)29-12-9-20(10-13-29)25(30)27-11-15-33-34-16-14-28(2)3/h5-8,17-20H,9-16H2,1-4H3,(H,27,30)/t19-/m1/s1
定義日:2022-06-20
最終更新日:2024-09-27
公開日:2023-04-26
識別子（ID）:~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
OX6
OX6
表記:TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
組成式:C11 H19 N3 O3
SMILES:O=C(OC(C)(C)C)NC(c1nnco1)C(C)C
InChi:InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1
定義日:2007-05-22
最終更新日:2024-09-27
識別子（ID）:tert-butyl [(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
OGX
OGX
表記:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
組成式:C12 H19 N6 O7 P S
SMILES:O=P(O)(OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)CC3O)NCCS
InChi:InChI=1S/C12H19N6O7PS/c13-11-16-9-8(10(20)17-11)15-12(21)18(9)7-3-5(19)6(25-7)4-24-26(22,23)14-1-2-27/h5-7,19,27H,1-4H2,(H,15,21)(H2,14,22,23)(H3,13,16,17,20)/t5-,6+,7+/m0/s1
定義日:2009-09-10
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
MU4
MU4
表記:N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
組成式:C27 H54 N3 O8 P
SMILES:OP(OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCCCCCC)=O)C)(=O)O
InChi:InChI=1S/C27H54N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-20-21-29-24(32)18-19-30-26(34)25(33)27(2,3)22-38-39(35,36)37/h25,33H,4-22H2,1-3H3,(H,28,31)(H,29,32)(H,30,34)(H2,35,36,37)/t25-/m0/s1
定義日:2019-04-15
最終更新日:2024-09-27
公開日:2020-04-22
識別子（ID）:N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
TS5
TS5
表記:GLUTATHIONYLSPERMIDINE
組成式:C17 H34 N6 O5 S
SMILES:O=C(NCC(=O)NCCCNCCCCN)C(NC(=O)CCC(C(=O)O)N)CS
InChi:InChI=1S/C17H34N6O5S/c18-6-1-2-7-20-8-3-9-21-15(25)10-22-16(26)13(11-29)23-14(24)5-4-12(19)17(27)28/h12-13,20,29H,1-11,18-19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t12-,13-/m0/s1
定義日:2001-02-28
最終更新日:2024-09-27
識別子（ID）:L-gamma-glutamyl-L-cysteinyl-N-{3-[(4-aminobutyl)amino]propyl}glycinamide
OX7
OX7
表記:TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
組成式:C11 H19 N3 O3
SMILES:O=C(OC(C)(C)C)NC(c1nnco1)C(C)C
InChi:InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1
定義日:2007-05-22
最終更新日:2024-09-27
識別子（ID）:tert-butyl [(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate
TCO
TCO
表記:TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE
組成式:C13 H23 N O3
SMILES:O=C(OC(C)(C)C)NC(C=O)C1CCCCC1
InChi:InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1
定義日:2003-08-29
最終更新日:2024-09-27
識別子（ID）:tert-butyl [(1S)-1-cyclohexyl-2-oxoethyl]carbamate
SJF
SJF
表記:(1S,3aR,6aS)-2-[(3,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide
組成式:C23 H29 Cl2 N3 O5
SMILES:O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)COc1ccc(Cl)c(Cl)c1
InChi:InChI=1S/C23H29Cl2N3O5/c24-18-5-4-16(9-19(18)25)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-15(11-29)8-13-6-7-26-22(13)31/h4-5,9,13-15,17,21,29H,1-3,6-8,10-12H2,(H,26,31)(H,27,32)/t13-,14-,15-,17-,21-/m0/s1
定義日:2023-08-28
最終更新日:2024-09-27
公開日:2024-08-28
識別子（ID）:(1S,3aR,6aS)-2-[(3,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide

243911

件を2025-10-29に公開中

PDB statisticsPDBj update infoContact PDBjnumon