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

IZO

IZO
表記:	(2S)-2-AMINOHEX-5-YNOIC ACID
組成式:	C6 H9 N O2
SMILES:	O=C(O)C(N)CCC#C
InChi:	InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h1,5H,3-4,7H2,(H,8,9)/t5-/m0/s1
定義日:	2010-08-09
最終更新日:	2023-11-03
識別子（ID）:	(2S)-2-aminohex-5-ynoic acid

5MW

5MW
表記:	(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid
組成式:	C8 H15 N5 O2
SMILES:	NCc1cn(CCC[CH](N)C(O)=O)nn1
InChi:	InChI=1S/C8H15N5O2/c9-4-6-5-13(12-11-6)3-1-2-7(10)8(14)15/h5,7H,1-4,9-10H2,(H,14,15)/t7-/m0/s1
定義日:	2015-10-23
最終更新日:	2023-11-03
公開日:	2016-05-18
識別子（ID）:	(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid

5OL

5OL
表記:	N~6~-(1,1-dihydroxyethyl)-L-lysine
組成式:	C8 H18 N2 O4
SMILES:	C(CCCCNC(C)(O)O)(C(=O)O)N
InChi:	InChI=1S/C8H18N2O4/c1-8(13,14)10-5-3-2-4-6(9)7(11)12/h6,10,13-14H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
定義日:	2015-10-29
最終更新日:	2023-11-03
公開日:	2016-07-27
識別子（ID）:	N~6~-(1,1-dihydroxyethyl)-L-lysine

5OM

5OM
表記:	(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid
組成式:	C10 H19 N O5
SMILES:	OC(CCCCCC(N)C(=O)O)(O)C1OC1
InChi:	InChI=1S/C10H19NO5/c11-7(9(12)13)4-2-1-3-5-10(14,15)8-6-16-8/h7-8,14-15H,1-6,11H2,(H,12,13)/t7-,8-/m0/s1
定義日:	2015-10-29
最終更新日:	2023-11-03
公開日:	2016-07-27
識別子（ID）:	(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid

J2F

J2F
表記:	(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid
組成式:	C16 H16 N2 O5
SMILES:	N[CH](Cc1ccc(OCc2ccccc2[N+]([O-])=O)cc1)C(O)=O
InChi:	InChI=1S/C16H16N2O5/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22/h1-8,14H,9-10,17H2,(H,19,20)/t14-/m0/s1
定義日:	2022-08-04
最終更新日:	2023-11-03
公開日:	2022-09-21
識別子（ID）:	(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid

5OW

5OW
表記:	(2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid
組成式:	C17 H27 N4 O9 P S
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(c1O)C(NCCCC[CH](N)C(O)=O)=N[CH](CS)C(O)=O
InChi:	InChI=1S/C17H27N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,22,32H,2-5,7-8,18H2,1H3,(H,19,21)(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12-/m0/s1
定義日:	2015-10-30
最終更新日:	2023-11-03
公開日:	2016-11-09
識別子（ID）:	(2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid

J3D

J3D
表記:	N-carboxy-L-cysteine
組成式:	C4 H7 N O4 S
SMILES:	C(S)C(C(O)=O)NC(=O)O
InChi:	InChI=1S/C4H7NO4S/c6-3(7)2(1-10)5-4(8)9/h2,5,10H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
定義日:	2018-08-06
最終更新日:	2023-11-03
公開日:	2019-08-07
識別子（ID）:	N-carboxy-L-cysteine

J3K

J3K
表記:	(2~{R})-1-azanylpropan-2-ol
組成式:	C3 H9 N O
SMILES:	C[CH](O)CN
InChi:	InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1
定義日:	2019-01-17
最終更新日:	2023-11-03
公開日:	2020-04-15
識別子（ID）:	(2~{R})-1-azanylpropan-2-ol

5PV

5PV
表記:	5-PHENYLVALERIC ACID
組成式:	C11 H14 O2
SMILES:	O=C(O)CCCCc1ccccc1
InChi:	InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	5-phenylpentanoic acid

5R0

5R0
表記:	4-~{tert}-butylbenzoic acid
組成式:	C11 H14 O2
SMILES:	CC(C)(C)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
定義日:	2015-11-12
最終更新日:	2023-11-03
公開日:	2015-12-16
識別子（ID）:	4-tert-butylbenzoic acid

5R5

5R5
表記:	methyl L-serinate
組成式:	C4 H9 N O3
SMILES:	NC(C(=O)OC)CO
InChi:	InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1
別名:	methyl (2~{S})-2-azanyl-3-oxidanyl-propanoate
定義日:	2015-11-13
最終更新日:	2023-11-03
公開日:	2015-12-16
識別子（ID）:	methyl L-serinate

5SQ

5SQ
表記:	2-[2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
組成式:	C17 H17 N5 O4
SMILES:	N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O
InChi:	InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5-/t13-/m0/s1
別名:	GREEN CHROMOPHORE (HIS-TYR-GLY)
定義日:	2015-11-24
最終更新日:	2023-11-03
公開日:	2016-08-03
識別子（ID）:	2-[2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

J7H

J7H
表記:	(2~{R})-2-azanyl-2-methyl-heptanoic acid
組成式:	C8 H17 N O2
SMILES:	CCCCC[C](C)(N)C(O)=O
InChi:	InChI=1S/C8H17NO2/c1-3-4-5-6-8(2,9)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1
定義日:	2019-02-08
最終更新日:	2023-11-03
公開日:	2019-10-02
識別子（ID）:	(2~{R})-2-azanyl-2-methyl-heptanoic acid

J8W

J8W
表記:	(2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
組成式:	C6 H9 N O6
SMILES:	N[CH](COC(=O)CC(O)=O)C(O)=O
InChi:	InChI=1S/C6H9NO6/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1
定義日:	2019-02-11
最終更新日:	2023-11-03
公開日:	2020-03-18
識別子（ID）:	(2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid

J9A

J9A
表記:	N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine
組成式:	C8 H15 N3 O5
SMILES:	O=C(O)CCC(N)C(=O)NCC(C(=O)O)N
InChi:	InChI=1S/C8H15N3O5/c9-4(1-2-6(12)13)7(14)11-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4-,5-/m0/s1
定義日:	2018-08-24
最終更新日:	2023-11-03
公開日:	2019-08-14
識別子（ID）:	N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine

F93

F93
表記:	(2R,3S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid
組成式:	C9 H10 Cl N O4
SMILES:	N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O
InChi:	InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m1/s1
定義日:	2020-04-16
最終更新日:	2023-11-03
公開日:	2020-11-18
識別子（ID）:	(2~{R},3~{S})-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid

F9D

F9D
表記:	(2R)-2-aminopent-4-ynoic acid
組成式:	C5 H7 N O2
SMILES:	C(=O)(O)C(N)CC#C
InChi:	InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m1/s1
定義日:	2018-03-16
最終更新日:	2023-11-03
公開日:	2019-03-06
識別子（ID）:	(2R)-2-aminopent-4-ynoic acid

FBE

FBE
表記:	(3E)-5-aminopent-3-enoic acid
組成式:	C5 H9 N O2
SMILES:	O=C(O)C/C=C/CN
InChi:	InChI=1S/C5H9NO2/c6-4-2-1-3-5(7)8/h1-2H,3-4,6H2,(H,7,8)/b2-1+
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	(3E)-5-aminopent-3-enoic acid

60F

60F
表記:	(2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid
組成式:	C12 H13 N O4 S
SMILES:	N[CH](CSC(=O)C=Cc1ccc(O)cc1)C(O)=O
InChi:	InChI=1S/C12H13NO4S/c13-10(12(16)17)7-18-11(15)6-3-8-1-4-9(14)5-2-8/h1-6,10,14H,7,13H2,(H,16,17)/b6-3+/t10-/m0/s1
定義日:	2016-01-07
最終更新日:	2023-11-03
公開日:	2016-05-18
識別子（ID）:	(2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid

60H

60H
表記:	(2~{S})-2-(diphenylmethyl)pyrrolidine
組成式:	C17 H19 N
SMILES:	C1CN[CH](C1)C(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1
定義日:	2016-01-08
最終更新日:	2023-11-03
公開日:	2016-01-27
識別子（ID）:	(2~{S})-2-(diphenylmethyl)pyrrolidine

FC0

FC0
表記:	N-CARBOXY-L-PHENYLALANINE
組成式:	C10 H11 N O4
SMILES:	O=C(O)C(NC(=O)O)Cc1ccccc1
InChi:	InChI=1S/C10H11NO4/c12-9(13)8(11-10(14)15)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H,14,15)/t8-/m0/s1
定義日:	2010-05-11
最終更新日:	2023-11-03
識別子（ID）:	N-carboxy-L-phenylalanine

FCL

FCL
表記:	3-CHLORO-L-PHENYLALANINE
組成式:	C9 H10 Cl N O2
SMILES:	Clc1cc(ccc1)CC(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:	2003-07-31
最終更新日:	2023-11-03
識別子（ID）:	3-chloro-L-phenylalanine

FE3

FE3
表記:	4-(2-aminoethyl)-3-chlorobenzoic acid
組成式:	C9 H10 Cl N O2
SMILES:	Clc1cc(ccc1CCN)C(=O)O
InChi:	InChI=1S/C9H10ClNO2/c10-8-5-7(9(12)13)2-1-6(8)3-4-11/h1-2,5H,3-4,11H2,(H,12,13)
定義日:	2008-03-14
最終更新日:	2023-11-03
識別子（ID）:	4-(2-aminoethyl)-3-chlorobenzoic acid

FF9

FF9
表記:	(2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid
組成式:	C10 H18 N2 O4
SMILES:	CCC(=NCCCC[CH](N)C(O)=O)C(O)=O
InChi:	InChI=1S/C10H18N2O4/c1-2-8(10(15)16)12-6-4-3-5-7(11)9(13)14/h7H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-8+/t7-/m0/s1
定義日:	2020-05-08
最終更新日:	2023-11-03
公開日:	2020-08-05
識別子（ID）:	(2~{S})-2-azanyl-6-[(~{E})-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid

FFL

FFL
表記:	5,5'-difluoroleucines
組成式:	C6 H11 F2 N O2
SMILES:	N[CH](CC(CF)CF)C(O)=O
InChi:	InChI=1S/C6H11F2NO2/c7-2-4(3-8)1-5(9)6(10)11/h4-5H,1-3,9H2,(H,10,11)/t5-/m0/s1
別名:	(2S)-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid
定義日:	2021-11-10
最終更新日:	2023-11-03
公開日:	2022-11-16
識別子（ID）:	(2~{S})-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid

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