Chemie Search results for query - 日本蛋白質結構資料庫

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 36689 results BIRD

4DB

4DB
Name:	(2S)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid
Formula:	C14 H17 N3 O4
SMILES:	O=C(O)C(N)CCN2C(=O)c1ccc(cc1C2=O)N(C)C
InChi:	InChI=1S/C14H17N3O4/c1-16(2)8-3-4-9-10(7-8)13(19)17(12(9)18)6-5-11(15)14(20)21/h3-4,7,11H,5-6,15H2,1-2H3,(H,20,21)/t11-/m0/s1
Definition date:	2009-09-23
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid

4DP

4DP
Name:	3-[5-(DIMETHYLAMINO)-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-ALANINE
Formula:	C13 H15 N3 O4
SMILES:	O=C(O)C(N)CN2C(=O)c1ccc(cc1C2=O)N(C)C
InChi:	InChI=1S/C13H15N3O4/c1-15(2)7-3-4-8-9(5-7)12(18)16(11(8)17)6-10(14)13(19)20/h3-5,10H,6,14H2,1-2H3,(H,19,20)/t10-/m0/s1
Synonyms:	4-(N,N-DIMETHYLAMINO)PHTHALIMIDOALANYL
Definition date:	2006-10-25
Last modified:	2023-11-03
Identifier:	3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-L-alanine

4F3

4F3
Name:	[2-(1-AMINO-2-HYDROXY-PROPYL)-4-(4-FLUORO-1H-INDOL-3-YLMETHYL)-5-HYDROXY-IMIDAZOL-1-YL]-ACETIC ACID
Formula:	C17 H19 F N4 O4
SMILES:	O=C(O)Cn1c(O)c(nc1C(N)C(O)C)Cc3c2c(F)cccc2nc3
InChi:	InChI=1S/C17H19FN4O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-4,6,8,15,20,23,26H,5,7,19H2,1H3,(H,24,25)/t8-,15-/m0/s1
Definition date:	2003-12-16
Last modified:	2023-11-03
Identifier:	{2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-[(4-fluoro-1H-indol-3-yl)methyl]-5-hydroxy-1H-imidazol-1-yl}acetic acid

4FW

4FW
Name:	4-FLUOROTRYPTOPHANE
Formula:	C11 H11 F N2 O2
SMILES:	O=C(O)C(N)Cc2c1c(F)cccc1nc2
InChi:	InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1
Definition date:	2003-12-16
Last modified:	2023-11-03
Identifier:	4-fluoro-L-tryptophan

4H0

4H0
Name:	(3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
Formula:	C11 H9 F4 N O4
SMILES:	O=C(O)CC(C(=O)COc1c(F)c(F)cc(F)c1F)N
InChi:	InChI=1S/C11H9F4NO4/c12-4-1-5(13)10(15)11(9(4)14)20-3-7(17)6(16)2-8(18)19/h1,6H,2-3,16H2,(H,18,19)/t6-/m0/s1
Definition date:	2012-12-13
Last modified:	2023-11-03
Release date:	2013-03-20
Identifier:	(3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

4HH

4HH
Name:	4'-phosphopanthetheine-serine
Formula:	C14 H28 N3 O9 P S
SMILES:	O=C(O)C(N)COP(O)(=O)OCC(C)(C(C(=O)NCCC(=O)NCCS)O)C
InChi:	InChI=1S/C14H28N3O9PS/c1-14(2,8-26-27(23,24)25-7-9(15)13(21)22)11(19)12(20)17-4-3-10(18)16-5-6-28/h9,11,19,28H,3-8,15H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)(H,23,24)/t9-,11-/m0/s1
Synonyms:	O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine
Definition date:	2015-09-08
Last modified:	2023-11-03
Release date:	2015-09-23
Identifier:	O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine

4HL

4HL
Name:	(6E)-4-[(2S)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate
Formula:	C16 H17 N3 O5
SMILES:	O=C1C=C([O-])/C(C=C1CC(C(=O)O)N)=[NH+]/NCc2ccc(O)cc2
InChi:	InChI=1S/C16H17N3O5/c17-12(16(23)24)5-10-6-13(15(22)7-14(10)21)19-18-8-9-1-3-11(20)4-2-9/h1-4,6-7,12,18,20,22H,5,8,17H2,(H,23,24)/b19-13+/t12-/m0/s1
Definition date:	2006-11-30
Last modified:	2023-11-03
Identifier:	(6E)-4-[(2S)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate

4HT

4HT
Name:	4-HYDROXYTRYPTOPHAN
Formula:	C11 H12 N2 O3
SMILES:	O=C(O)C(N)Cc2c1c(cccc1O)nc2
InChi:	InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1
Definition date:	2004-01-20
Last modified:	2023-11-03
Identifier:	4-hydroxy-L-tryptophan

4II

4II
Name:	(2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid
Formula:	C9 H10 N4 O2
SMILES:	N[CH](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O
InChi:	InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8H,5,10H2,(H,14,15)/t8-/m0/s1
Definition date:	2018-08-19
Last modified:	2023-11-03
Release date:	2018-12-05
Identifier:	(2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid

4IN

4IN
Name:	4-AMINO-L-TRYPTOPHAN
Formula:	C11 H13 N3 O2
SMILES:	O=C(O)C(N)Cc2c1c(cccc1nc2)N
InChi:	InChI=1S/C11H13N3O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,12-13H2,(H,15,16)/t8-/m0/s1
Synonyms:	2-AMINO-3-(4-AMINO-1H-INDOL-3-YL)PROPANOIC ACID
Definition date:	2003-04-15
Last modified:	2023-11-03
Identifier:	4-amino-L-tryptophan

4KY

4KY
Name:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline
Formula:	C15 H25 N O4
SMILES:	C(=C)CCCCCCOC1CC(C(=O)O)N(C1)C(C)=O
InChi:	InChI=1S/C15H25NO4/c1-3-4-5-6-7-8-9-20-13-10-14(15(18)19)16(11-13)12(2)17/h3,13-14H,1,4-11H2,2H3,(H,18,19)/t13-,14+/m1/s1
Definition date:	2015-04-01
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline

4L0

4L0
Name:	(4R)-1-acetyl-4-(hexyloxy)-L-proline
Formula:	C13 H23 N O4
SMILES:	N1(CC(CC1C(=O)O)OCCCCCC)C(C)=O
InChi:	InChI=1S/C13H23NO4/c1-3-4-5-6-7-18-11-8-12(13(16)17)14(9-11)10(2)15/h11-12H,3-9H2,1-2H3,(H,16,17)/t11-,12+/m1/s1
Synonyms:	(4R)-1-acetyl-4-(hex-5-en-1-yloxy)-L-proline (bound form)
Definition date:	2015-04-02
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	(4R)-1-acetyl-4-(hexyloxy)-L-proline

4LZ

4LZ
Name:	O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine
Formula:	C11 H15 N4 O3
SMILES:	C(C(N)Cc1ccc(OCCN=[N+]=N)cc1)(=O)O
InChi:	InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1
Definition date:	2015-04-14
Last modified:	2023-11-03
Release date:	2015-05-06
Identifier:	O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine

4NT

4NT
Name:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C15 H16 Cl N3 O5
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(Cl)c(cc2)O
InChi:	InChI=1S/C15H16ClN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2015-04-21
Last modified:	2023-11-03
Release date:	2015-06-10
Identifier:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

4NU

4NU
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H15 Cl2 N3 O5
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=CC2C=C(Cl)C(C(=C2)Cl)=O
InChi:	InChI=1S/C15H15Cl2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6-7,12,21H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2015-04-21
Last modified:	2023-11-03
Release date:	2015-06-10
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

4OG

4OG
Name:	3-(1-benzothiophen-3-yl)-L-alanine
Formula:	C11 H11 N O2 S
SMILES:	c12scc(c1cccc2)CC(N)C(O)=O
InChi:	InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2015-04-28
Last modified:	2023-11-03
Release date:	2016-03-02
Identifier:	3-(1-benzothiophen-3-yl)-L-alanine

4OU

4OU
Name:	4-(acryloylamino)-L-phenylalanine
Formula:	C12 H14 N2 O3
SMILES:	c1(ccc(NC([C@H]=C)=O)cc1)CC(C(=O)O)N
InChi:	InChI=1S/C12H14N2O3/c1-2-11(15)14-9-5-3-8(4-6-9)7-10(13)12(16)17/h2-6,10H,1,7,13H2,(H,14,15)(H,16,17)/t10-/m0/s1
Definition date:	2015-04-29
Last modified:	2023-11-03
Release date:	2015-05-20
Identifier:	4-(acryloylamino)-L-phenylalanine

H3I

H3I
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid
Formula:	C20 H24 N12 O6
SMILES:	N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(=O)Nc4ncnc5nc[nH]c45)C(O)=O
InChi:	InChI=1S/C20H24N12O6/c21-8(19(35)36)1-2-31(20(37)30-16-11-15(25-4-23-11)26-6-27-16)3-9-12(33)13(34)18(38-9)32-7-29-10-14(22)24-5-28-17(10)32/h4-9,12-13,18,33-34H,1-3,21H2,(H,35,36)(H2,22,24,28)(H2,23,25,26,27,30,37)/t8-,9+,12-,13?,18+/m0/s1
Definition date:	2023-07-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid

H9D

H9D
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol
Formula:	C22 H29 N11 O7
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CNCCNc4ncnc5n(cnc45)[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:	InChI=1S/C22H29N11O7/c23-17-11-19(28-5-26-17)32(7-30-11)21-15(37)13(35)9(39-21)3-24-1-2-25-18-12-20(29-6-27-18)33(8-31-12)22-16(38)14(36)10(4-34)40-22/h5-10,13-16,21-22,24,34-38H,1-4H2,(H2,23,26,28)(H,25,27,29)
Definition date:	2023-07-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol

HAO

HAO
Name:	{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid
Formula:	C10 H11 N3 O5
SMILES:	O=C(O)C(=O)Nc1ccc(OC)c(C(=O)NN)c1
InChi:	InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)
Definition date:	2010-07-01
Last modified:	2023-11-03
Identifier:	{[3-(hydrazinylcarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid

HCL

HCL
Name:	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
Formula:	C8 H8 Cl N O4
SMILES:	N[CH](C(O)=O)c1cc(O)cc(O)c1Cl
InChi:	InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)/t7-/m0/s1
Definition date:	2012-03-05
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid

HD0

HD0
Name:	(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid
Formula:	C10 H12 N4 O4
SMILES:	O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2
InChi:	InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1
Definition date:	2010-11-01
Last modified:	2023-11-03
Release date:	2022-06-29
Identifier:	(2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid

HG7

HG7
Name:	(2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide
Formula:	C13 H21 N3 O2
SMILES:	CN(C)CCCNC(=O)[CH](N)c1cccc(O)c1
InChi:	InChI=1S/C13H21N3O2/c1-16(2)8-4-7-15-13(18)12(14)10-5-3-6-11(17)9-10/h3,5-6,9,12,17H,4,7-8,14H2,1-2H3,(H,15,18)/t12-/m0/s1
Definition date:	2012-03-05
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide

1JM

1JM
Name:	4-carboxy-N-methyl-D-phenylalanine
Formula:	C11 H13 N O4
SMILES:	O=C(O)C(NC)Cc1ccc(cc1)C(=O)O
InChi:	InChI=1S/C11H13NO4/c1-12-9(11(15)16)6-7-2-4-8(5-3-7)10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1
Definition date:	2013-02-15
Last modified:	2023-11-03
Release date:	2013-11-06
Identifier:	4-carboxy-N-methyl-D-phenylalanine

HGL

HGL
Name:	(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid
Formula:	C9 H12 N6 O3
SMILES:	O=C(O)C(N)CCn1c2N=C(NC(=O)c2nc1)N
InChi:	InChI=1S/C9H12N6O3/c10-4(8(17)18)1-2-15-3-12-5-6(15)13-9(11)14-7(5)16/h3-4H,1-2,10H2,(H,17,18)(H3,11,13,14,16)/t4-/m0/s1
Definition date:	2008-02-12
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid

<109 110 111 112 113 114 115116117 118 119 120 121 122 123 124 >

224931

數據於2024-09-11公開中

PDB statistics

PDBj update info

Contact PDBj

numon