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
TPQ
TPQ
表記:5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-1,4-BENZOQUINONE
組成式:C9 H9 N O5
SMILES:O=C1C(=CC(=O)C(O)=C1)CC(C(=O)O)N
InChi:InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1
別名:5-(2-CARBOXY-2-AMINOETHYL)-4-HYDROXY-1,2-BENZOQUINONE
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:3-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-L-alanine
5T3
5T3
表記:N~6~-ethyl-N~6~-propan-2-yl-L-lysine
組成式:C11 H24 N2 O2
SMILES:NC(CCCCN(C(C)C)CC)C(=O)O
InChi:InChI=1S/C11H24N2O2/c1-4-13(9(2)3)8-6-5-7-10(12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)/t10-/m0/s1
定義日:2019-12-19
最終更新日:2023-11-03
公開日:2020-01-15
識別子（ID）:N~6~-ethyl-N~6~-propan-2-yl-L-lysine
UX8
UX8
表記:(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid
組成式:C11 H12 N2 O3
SMILES:N[CH]([CH](O)c1c[nH]c2ccccc12)C(O)=O
InChi:InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10+/m0/s1
定義日:2021-03-25
最終更新日:2023-11-03
公開日:2021-04-21
識別子（ID）:(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid
OEO
OEO
表記:N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide
組成式:C24 H23 N3 O S
SMILES:O=C(Cc1cncc2ccccc21)N(Cc1ccsc1)c1ccc(cc1)N(C)C
InChi:InChI=1S/C24H23N3OS/c1-26(2)21-7-9-22(10-8-21)27(16-18-11-12-29-17-18)24(28)13-20-15-25-14-19-5-3-4-6-23(19)20/h3-12,14-15,17H,13,16H2,1-2H3
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide
NKU
NKU
表記:2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
組成式:C16 H15 Cl N4 O
SMILES:Clc1cccc(c1)CN(C)C(=O)Cn1nnc2ccccc21
InChi:InChI=1S/C16H15ClN4O/c1-20(10-12-5-4-6-13(17)9-12)16(22)11-21-15-8-3-2-7-14(15)18-19-21/h2-9H,10-11H2,1H3
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
SWG
SWG
表記:2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid
組成式:C16 H16 N4 O4
SMILES:N[CH](CO)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O
InChi:InChI=1S/C16H16N4O4/c17-11(8-21)15-19-13(16(24)20(15)7-14(22)23)5-9-6-18-12-4-2-1-3-10(9)12/h1-6,11,18,21H,7-8,17H2,(H,22,23)/b13-5-/t11-/m0/s1
定義日:2011-03-25
最終更新日:2023-11-03
識別子（ID）:2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid
Q2G
Q2G
表記:N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea
組成式:C13 H12 Cl N3 O
SMILES:O=C(Nc1cnccc1C)Nc1cccc(Cl)c1
InChi:InChI=1S/C13H12ClN3O/c1-9-5-6-15-8-12(9)17-13(18)16-11-4-2-3-10(14)7-11/h2-8H,1H3,(H2,16,17,18)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea
VDE
VDE
表記:(2S)-2-azanyl-6-[4-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid
組成式:C11 H20 N6 O3
SMILES:N[CH](CCCCn1cc(C[CH](N)C(N)=O)nn1)C(O)=O
InChi:InChI=1S/C11H20N6O3/c12-8(11(19)20)3-1-2-4-17-6-7(15-16-17)5-9(13)10(14)18/h6,8-9H,1-5,12-13H2,(H2,14,18)(H,19,20)/t8-,9-/m0/s1
定義日:2021-05-06
最終更新日:2023-11-03
公開日:2023-04-26
識別子（ID）:(2~{S})-2-azanyl-6-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid
NZK
NZK
表記:2-(4-acetylpiperazin-1-yl)-N-(isoquinolin-4-yl)acetamide
組成式:C17 H20 N4 O2
SMILES:O=C(CN1CCN(CC1)C(C)=O)Nc1cncc2ccccc21
InChi:InChI=1S/C17H20N4O2/c1-13(22)21-8-6-20(7-9-21)12-17(23)19-16-11-18-10-14-4-2-3-5-15(14)16/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(4-acetylpiperazin-1-yl)-N-(isoquinolin-4-yl)acetamide
Q2K
Q2K
表記:2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid
組成式:C9 H11 N3 O4 S
SMILES:CSCCC(=N)C1=NC(=O)C(=O)N1CC(O)=O
InChi:InChI=1S/C9H11N3O4S/c1-17-3-2-5(10)7-11-8(15)9(16)12(7)4-6(13)14/h10H,2-4H2,1H3,(H,13,14)/b10-5-
別名:CHROMOPHORE (MET-TYR-GLY)
定義日:2022-10-11
最終更新日:2023-11-03
公開日:2023-02-15
識別子（ID）:2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid
Y57
Y57
表記:N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine
組成式:C17 H28 N2 O2
SMILES:C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1
InChi:InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1
定義日:2021-02-04
最終更新日:2023-11-03
公開日:2021-12-15
識別子（ID）:N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine
UXQ
UXQ
表記:(2S)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid
組成式:C12 H15 Cl N2 O3
SMILES:N[CH](Cc1ccc(CNC(=O)CCl)cc1)C(O)=O
InChi:InChI=1S/C12H15ClN2O3/c13-6-11(16)15-7-9-3-1-8(2-4-9)5-10(14)12(17)18/h1-4,10H,5-7,14H2,(H,15,16)(H,17,18)/t10-/m0/s1
定義日:2021-03-26
最終更新日:2023-11-03
公開日:2021-10-13
識別子（ID）:(2~{S})-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid
Y58
Y58
表記:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
組成式:C20 H27 N3 O9 S2
SMILES:OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(Sc4ccccc4)nn3)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C20H27N3O9S2/c24-7-10-14(26)13(23-6-12(21-22-23)33-9-4-2-1-3-5-9)16(28)19(31-10)34-20-18(30)17(29)15(27)11(8-25)32-20/h1-6,10-11,13-20,24-30H,7-8H2/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1
定義日:2023-06-12
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
Q2U
Q2U
表記:N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
組成式:C19 H18 N2 O4
SMILES:COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2ccccc21
InChi:InChI=1S/C19H18N2O4/c1-24-16-8-4-5-9-17(16)25-11-10-20-19(23)14-12-18(22)21-15-7-3-2-6-13(14)15/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
NLF
NLF
表記:N-formyl-L-tryptophan
組成式:C12 H12 N2 O3
SMILES:O=C(O)C(NC=O)Cc1c[NH]c2ccccc21
InChi:InChI=1S/C12H12N2O3/c15-7-14-11(12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2,(H,14,15)(H,16,17)/t11-/m0/s1
定義日:2022-04-05
最終更新日:2023-11-03
公開日:2022-08-17
識別子（ID）:N-formyl-L-tryptophan
TQQ
TQQ
表記:(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-7-OXO-1H-INDOL-3-YL)PROPANOIC ACID
組成式:C11 H11 N3 O3
SMILES:O=C(O)C(N)Cc2c1C=CC(=[N@H])C(=O)c1nc2
InChi:InChI=1S/C11H11N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,12,14H,3,13H2,(H,16,17)/b12-7-/t8-/m0/s1
別名:3-[(6E)-6-IMINO-7-OXO-6,7-DIHYDRO-1H-INDOL-3-YL]-L-ALANINE
定義日:2005-08-10
最終更新日:2023-11-03
識別子（ID）:3-[(6Z)-6-imino-7-oxo-6,7-dihydro-1H-indol-3-yl]-L-alanine
UKD
UKD
表記:3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
組成式:C5 H9 N4 O5 P
SMILES:OP(=O)(O)c1nnn(c1)CC(N)C(O)=O
InChi:InChI=1S/C5H9N4O5P/c6-3(5(10)11)1-9-2-4(7-8-9)15(12,13)14/h2-3H,1,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1
別名:pHis
定義日:2020-05-20
最終更新日:2023-11-03
公開日:2021-02-03
識別子（ID）:3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
P9O
P9O
表記:(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C18 H18 Cl N3 O2
SMILES:Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2CCNCc21
InChi:InChI=1S/C18H18ClN3O2/c19-12-1-2-17-14(7-12)13(4-6-24-17)18(23)22-16-10-21-8-11-3-5-20-9-15(11)16/h1-2,7-8,10,13,20H,3-6,9H2,(H,22,23)/t13-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
S39
S39
表記:(4S)-2-{2-[(1,3-benzothiazol-5-yl)amino]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C28 H22 Cl N5 O2 S
SMILES:Clc1ccc2CN(CC(C(=O)Nc3cncc4ccccc43)c2c1)CC(=O)Nc1cc2ncsc2cc1
InChi:InChI=1S/C28H22ClN5O2S/c29-19-6-5-18-13-34(15-27(35)32-20-7-8-26-24(10-20)31-16-37-26)14-23(22(18)9-19)28(36)33-25-12-30-11-17-3-1-2-4-21(17)25/h1-12,16,23H,13-15H2,(H,32,35)(H,33,36)/t23-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-2-{2-[(1,3-benzothiazol-5-yl)amino]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
YNM
YNM
表記:N-METHYL-L-TYROSINE
組成式:C10 H13 N O3
SMILES:O=C(O)C(NC)Cc1ccc(O)cc1
InChi:InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1
定義日:2009-09-03
最終更新日:2023-11-03
識別子（ID）:N-methyl-L-tyrosine
Q36
Q36
表記:(2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide
組成式:C16 H15 N3 O
SMILES:O=C(Nc1cnccc1C)C(C)c1cccc(C#N)c1
InChi:InChI=1S/C16H15N3O/c1-11-6-7-18-10-15(11)19-16(20)12(2)14-5-3-4-13(8-14)9-17/h3-8,10,12H,1-2H3,(H,19,20)/t12-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide
WRP
WRP
表記:(betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
組成式:C16 H22 N2 O4
SMILES:O=C(O)C(N)C(O)c2c1ccccc1n(c2)C(C)(C)C(O)C
InChi:InChI=1S/C16H22N2O4/c1-9(19)16(2,3)18-8-11(14(20)13(17)15(21)22)10-6-4-5-7-12(10)18/h4-9,13-14,19-20H,17H2,1-3H3,(H,21,22)/t9-,13+,14-/m1/s1
定義日:2013-06-20
最終更新日:2023-11-03
公開日:2013-09-18
識別子（ID）:(betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
OFM
OFM
表記:[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
組成式:C24 H24 N4 O6
SMILES:O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)Cc4ccccc4
InChi:InChI=1S/C24H24N4O6/c1-14-21(27-24(33,34-14)19(25)12-15-5-3-2-4-6-15)22-26-18(23(32)28(22)13-20(30)31)11-16-7-9-17(29)10-8-16/h2-11,14,19,29,33H,12-13,25H2,1H3,(H,30,31)/b18-11-/t14-,19+,24-/m1/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2014-04-30
最終更新日:2023-11-03
公開日:2014-07-08
識別子（ID）:[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
O0C
O0C
表記:2-(3-chlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide
組成式:C16 H12 Cl N3 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2cnccc21
InChi:InChI=1S/C16H12ClN3O/c17-13-3-1-2-11(6-13)7-16(21)20-15-10-19-9-12-8-18-5-4-14(12)15/h1-6,8-10H,7H2,(H,20,21)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide
Z7Z
Z7Z
表記:biphenyl-4-carboxylic acid
組成式:C13 H10 O2
SMILES:O=C(O)c2ccc(c1ccccc1)cc2
InChi:InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
定義日:2012-12-17
最終更新日:2023-11-03
公開日:2021-09-01
識別子（ID）:biphenyl-4-carboxylic acid

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon