Chemie クエリの検索結果 - 日本蛋白質構造データバンク

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PDB ウェブページステータス検索化合物検索: 35267 件 BIRD

G2Z

G2Z
表記:	[(2~{S})-2-azanylpropyl]carbamic acid
組成式:	C4 H10 N2 O2
SMILES:	C[CH](N)CNC(O)=O
InChi:	InChI=1S/C4H10N2O2/c1-3(5)2-6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1
定義日:	2018-08-23
最終更新日:	2023-11-03
公開日:	2021-02-17
識別子（ID）:	[(2~{S})-2-azanylpropyl]carbamic acid

XZP

XZP
表記:	(1R,2R)-2-aminocyclopentane-1-carboxylic acid
組成式:	C6 H11 N O2
SMILES:	O=C(C1CCCC1N)O
InChi:	InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m1/s1
定義日:	2017-05-18
最終更新日:	2023-11-03
公開日:	2018-02-21
識別子（ID）:	(1R,2R)-2-aminocyclopentane-1-carboxylic acid

2GX

2GX
表記:	beta-phenyl-L-phenylalanine
組成式:	C15 H15 N O2
SMILES:	O=C(O)C(N)C(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m0/s1
定義日:	2013-02-15
最終更新日:	2023-11-03
公開日:	2016-10-26
識別子（ID）:	beta-phenyl-L-phenylalanine

YYA

YYA
表記:	2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid
組成式:	C11 H19 N O3
SMILES:	O=C(O)C(NC)C(O)C(CC=C/C=C)C
InChi:	InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5-/t8-,9+,10-/m1/s1
定義日:	2010-11-19
最終更新日:	2023-11-03
識別子（ID）:	2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid

YJF

YJF
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-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol
組成式:	C20 H27 N3 O11 S2
SMILES:	OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)[S](=O)(=O)c4ccccc4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C20H27N3O11S2/c24-7-10-14(26)13(23-6-12(21-22-23)36(31,32)9-4-2-1-3-5-9)16(28)19(33-10)35-20-18(30)17(29)15(27)11(8-25)34-20/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:	2023-06-19
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-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol

YJO

YJO
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-[oxidanyl(phenyl)-$l^{3}-sulfanyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol
組成式:	C20 H28 N3 O10 S2
SMILES:	OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)[S+](O)c4ccccc4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C20H28N3O10S2/c24-7-10-14(26)13(23-6-12(21-22-23)35(31)9-4-2-1-3-5-9)16(28)19(32-10)34-20-18(30)17(29)15(27)11(8-25)33-20/h1-6,10-11,13-20,24-31H,7-8H2/q+1/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+,35-/m1/s1
定義日:	2023-06-19
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	[1-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]-1,2,3-triazol-4-yl]-oxidanyl-phenyl-sulfanium

Y1V

Y1V
表記:	(4R)-5-amino-L-leucine
組成式:	C6 H14 N2 O2
SMILES:	C(O)(=O)C(CC(CN)C)N
InChi:	InChI=1S/C6H14N2O2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5+/m1/s1
定義日:	2021-01-27
最終更新日:	2023-11-03
公開日:	2021-08-11
識別子（ID）:	(4R)-5-amino-L-leucine

Y1Y

Y1Y
表記:	3-amino-2,3-dideoxy-5-O-(5-methylthiophene-2-carbonyl)-D-erythro-pentonic acid
組成式:	C11 H15 N O5 S
SMILES:	Cc1sc(cc1)C(=O)OCC(C(N)CC(O)=O)O
InChi:	InChI=1S/C11H15NO5S/c1-6-2-3-9(18-6)11(16)17-5-8(13)7(12)4-10(14)15/h2-3,7-8,13H,4-5,12H2,1H3,(H,14,15)/t7-,8+/m0/s1
定義日:	2020-06-02
最終更新日:	2023-11-03
公開日:	2021-06-02
識別子（ID）:	3-amino-2,3-dideoxy-5-O-(5-methylthiophene-2-carbonyl)-D-erythro-pentonic acid

ZNY

ZNY
表記:	(4R)-4-ethoxy-L-proline
組成式:	C7 H13 N O3
SMILES:	CCOC1CC(NC1)C(=O)O
InChi:	InChI=1S/C7H13NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
定義日:	2021-05-12
最終更新日:	2023-11-03
公開日:	2022-03-02
識別子（ID）:	(4R)-4-ethoxy-L-proline

2IQ

2IQ
表記:	2-(hexylamino)ethanoic acid
組成式:	C8 H17 N O2
SMILES:	CCCCCCNCC(O)=O
InChi:	InChI=1S/C8H17NO2/c1-2-3-4-5-6-9-7-8(10)11/h9H,2-7H2,1H3,(H,10,11)
定義日:	2022-01-28
最終更新日:	2023-11-03
公開日:	2022-08-31
識別子（ID）:	2-(hexylamino)ethanoic acid

G5G

G5G
表記:	(2S,4S)-2-amino-4,5-dihydroxy-4-methylpentanoic acid
組成式:	C6 H13 N O4
SMILES:	C(CC(N)C(O)=O)(CO)(C)O
InChi:	InChI=1S/C6H13NO4/c1-6(11,3-8)2-4(7)5(9)10/h4,8,11H,2-3,7H2,1H3,(H,9,10)/t4-,6-/m0/s1
定義日:	2018-05-04
最終更新日:	2023-11-03
公開日:	2018-09-19
識別子（ID）:	(2S,4S)-2-amino-4,5-dihydroxy-4-methylpentanoic acid (non-preferred name)

Y2Y

Y2Y
表記:	(3S,4R)-3-amino-4-hydroxyheptanedioic acid
組成式:	C7 H13 N O5
SMILES:	NC(CC(O)=O)C(CCC(=O)O)O
InChi:	InChI=1S/C7H13NO5/c8-4(3-7(12)13)5(9)1-2-6(10)11/h4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1
定義日:	2020-06-02
最終更新日:	2023-11-03
公開日:	2021-06-02
識別子（ID）:	(3S,4R)-3-amino-4-hydroxyheptanedioic acid

2JH

2JH
表記:	3-cyclobutyl-L-alanine
組成式:	C7 H13 N O2
SMILES:	O=C(O)C(N)CC1CCC1
InChi:	InChI=1S/C7H13NO2/c8-6(7(9)10)4-5-2-1-3-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
定義日:	2013-10-31
最終更新日:	2023-11-03
公開日:	2013-11-20
識別子（ID）:	3-cyclobutyl-L-alanine

2JN

2JN
表記:	2-methyl-D-norleucine
組成式:	C7 H15 N O2
SMILES:	O=C(O)C(N)(CCCC)C
InChi:	InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1
定義日:	2013-11-01
最終更新日:	2023-11-03
公開日:	2014-02-19
識別子（ID）:	2-methyl-D-norleucine

ZPO

ZPO
表記:	pyrazolidine-1-carboxylic acid
組成式:	C4 H8 N2 O2
SMILES:	N1CCCN1C(O)=O
InChi:	InChI=1S/C4H8N2O2/c7-4(8)6-3-1-2-5-6/h5H,1-3H2,(H,7,8)
定義日:	2018-08-22
最終更新日:	2023-11-03
公開日:	2019-07-03
識別子（ID）:	pyrazolidine-1-carboxylic acid

2L5

2L5
表記:	2-chloro-L-phenylalanine
組成式:	C9 H10 Cl N O2
SMILES:	Clc1ccccc1CC(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:	2013-11-25
最終更新日:	2023-11-03
公開日:	2014-10-15
識別子（ID）:	2-chloro-L-phenylalanine

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

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

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

2LT

2LT
表記:	3,5-dichloro-L-tyrosine
組成式:	C9 H9 Cl2 N O3
SMILES:	Clc1cc(cc(Cl)c1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
定義日:	2013-12-18
最終更新日:	2023-11-03
公開日:	2014-09-24
識別子（ID）:	3,5-dichloro-L-tyrosine

YOF

YOF
表記:	3-FLUOROTYROSINE
組成式:	C9 H10 F N O3
SMILES:	Fc1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	3-fluoro-L-tyrosine

G8X

G8X
表記:	(2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid
組成式:	C5 H9 N O3
SMILES:	O[CH]1CCN[CH]1C(O)=O
InChi:	InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
定義日:	2020-08-06
最終更新日:	2023-11-03
公開日:	2021-06-16
識別子（ID）:	(2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid

ZS8

ZS8
表記:	(2S)-2-amino-2-methyldec-8-ynoic acid
組成式:	C11 H19 N O2
SMILES:	NC(C(=O)O)(C)CCCCCC#CC
InChi:	InChI=1S/C11H19NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-9,12H2,1-2H3,(H,13,14)/t11-/m0/s1
定義日:	2016-04-06
最終更新日:	2023-11-03
公開日:	2016-10-19
識別子（ID）:	(2S)-2-amino-2-methyldec-8-ynoic acid

ZSN

ZSN
表記:	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid
組成式:	C3 H7 N3 O3
SMILES:	O=C(N)CN(N)C(=O)O
InChi:	InChI=1S/C3H7N3O3/c4-2(7)1-6(5)3(8)9/h1,5H2,(H2,4,7)(H,8,9)
別名:	Aza-asparagine
定義日:	2012-06-01
最終更新日:	2023-11-03
公開日:	2013-06-26
識別子（ID）:	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid

YPZ

YPZ
表記:	3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine
組成式:	C15 H15 N3 O4
SMILES:	O=C2C=C(O)C(=N/Nc1ccccc1)C=C2CC(C(=O)O)N
InChi:	InChI=1S/C15H15N3O4/c16-11(15(21)22)6-9-7-12(14(20)8-13(9)19)18-17-10-4-2-1-3-5-10/h1-5,7-8,11,17,20H,6,16H2,(H,21,22)/b18-12-/t11-/m0/s1
定義日:	2013-04-12
最終更新日:	2023-11-03
公開日:	2013-04-24
識別子（ID）:	3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine

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