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

HSO

HSO
表記:	L-histidinol
組成式:	C6 H12 N3 O
SMILES:	NC(CO)Cc1[nH+]cnc1
InChi:	InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	4-[(2S)-2-amino-3-hydroxypropyl]-1H-imidazol-3-ium

HSV

HSV
表記:	L-histidinal
組成式:	C6 H10 N3 O
SMILES:	NC(C=O)Cc1[nH+]cnc1
InChi:	InChI=1S/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)/p+1/t5-/m0/s1
定義日:	2015-06-17
最終更新日:	2023-11-03
識別子（ID）:	4-[(2S)-2-amino-3-oxopropyl]-1H-imidazol-3-ium

HT0

HT0
表記:	(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
組成式:	C10 H9 N O5
SMILES:	O=C(O)C1NC(=O)OC1c1ccc(O)cc1
InChi:	InChI=1S/C10H9NO5/c12-6-3-1-5(2-4-6)8-7(9(13)14)11-10(15)16-8/h1-4,7-8,12H,(H,11,15)(H,13,14)/t7-,8-/m1/s1
定義日:	2021-03-10
最終更新日:	2023-11-03
公開日:	2022-12-07
識別子（ID）:	(4R,5R)-5-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid

28H

28H
表記:	(2R,3R)-3-hydroxy-2,4-dimethylpentanoic acid
組成式:	C7 H14 O3
SMILES:	O=C(O)C(C)C(O)C(C)C
InChi:	InChI=1S/C7H14O3/c1-4(2)6(8)5(3)7(9)10/h4-6,8H,1-3H3,(H,9,10)/t5-,6-/m1/s1
定義日:	2013-09-10
最終更新日:	2023-11-03
公開日:	2014-05-21
識別子（ID）:	(2R,3R)-3-hydroxy-2,4-dimethylpentanoic acid

28K

28K
表記:	(2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid
組成式:	C7 H10 O4
SMILES:	O=C(O)C=CC1(OC1)C(O)C
InChi:	InChI=1S/C7H10O4/c1-5(8)7(4-11-7)3-2-6(9)10/h2-3,5,8H,4H2,1H3,(H,9,10)/b3-2+/t5?,7-/m0/s1
定義日:	2013-09-10
最終更新日:	2023-11-03
公開日:	2014-05-21
識別子（ID）:	(2E)-3-{(2S)-2-[(1R)-1-hydroxyethyl]oxiran-2-yl}prop-2-enoic acid

HT7

HT7
表記:	(3S)-3-AMINO-4-(1H-INDOL-3-YL)BUTANOIC ACID
組成式:	C12 H14 N2 O2
SMILES:	O=C(O)CC(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C12H14N2O2/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11/h1-4,7,9,14H,5-6,13H2,(H,15,16)/t9-/m0/s1
別名:	BETA-HOMOTRYPTOPHAN
定義日:	2011-05-18
最終更新日:	2023-11-03
識別子（ID）:	(3S)-3-amino-4-(1H-indol-3-yl)butanoic acid

HTR

HTR
表記:	BETA-HYDROXYTRYPTOPHANE
組成式:	C11 H12 N2 O3
SMILES:	O=C(O)C(N)C(O)c2c1ccccc1nc2
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:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	(betaS)-beta-hydroxy-L-tryptophan

HTY

HTY
表記:	(betaR)-beta-hydroxy-D-tyrosine
組成式:	C9 H11 N O4
SMILES:	O=C(O)C(N)C(O)c1ccc(O)cc1
InChi:	InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8-/m1/s1
定義日:	2002-09-02
最終更新日:	2023-11-03
識別子（ID）:	(betaR)-beta-hydroxy-D-tyrosine

2A1

2A1
表記:	(2S)-2-aminopropan-1-ol
組成式:	C3 H9 N O
SMILES:	C[CH](N)CO
InChi:	InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
定義日:	2010-01-06
最終更新日:	2023-11-03
識別子（ID）:	(2S)-2-azanylpropan-1-ol

HY1

HY1
表記:	PHENYLACETALDEHYDE
組成式:	C8 H8 O
SMILES:	O=CCc1ccccc1
InChi:	InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
定義日:	1999-08-26
最終更新日:	2023-11-03
識別子（ID）:	phenylacetaldehyde

I0C

I0C
表記:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7~{H}-purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid
組成式:
SMILES:	N[CH](CCN(CCCNc1ncnc2n(cnc12)C3OC(CO)C(O)C3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O
InChi:	InChI=1S/C27H38N12O9/c28-12(27(45)46)2-5-37(6-13-17(41)19(43)25(47-13)38-10-35-15-21(29)31-8-33-23(15)38)4-1-3-30-22-16-24(34-9-32-22)39(11-36-16)26-20(44)18(42)14(7-40)48-26/h8-14,17-20,25-26,40-44H,1-7,28H2,(H,45,46)(H2,29,31,33)(H,30,32,34)/t12-,13+,14?,17+,18?,19+,20?,25+,26?/m0/s1
定義日:	2023-07-24
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid

004

004
表記:	(2S)-amino(phenyl)ethanoic acid
組成式:	C8 H9 N O2
SMILES:	O=C(O)C(N)c1ccccc1
InChi:	InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1
別名:	L-Phenylglycine
定義日:	2010-04-27
最終更新日:	2023-11-03
識別子（ID）:	(2S)-amino(phenyl)ethanoic acid

00E

00E
表記:	morpholin-4-ylacetic acid
組成式:	C6 H11 N O3
SMILES:	O=C(O)CN1CCOCC1
InChi:	InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)
定義日:	2010-04-27
最終更新日:	2023-11-03
識別子（ID）:	morpholin-4-ylacetic acid

00I

00I
表記:	N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine
組成式:	C30 H35 N5 O6 S
SMILES:	O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c3cc2ccccc2cc3)CCC(=O)O)Cc4ccc(C(=[N@H])N)cc4
InChi:	InChI=1S/C30H35N5O6S/c31-28(32)22-10-8-20(9-11-22)18-26(30(39)35-16-4-1-5-17-35)33-29(38)25(14-15-27(36)37)34-42(40,41)24-13-12-21-6-2-3-7-23(21)19-24/h2-3,6-13,19,25-26,34H,1,4-5,14-18H2,(H3,31,32)(H,33,38)(H,36,37)/t25-,26+/m0/s1
定義日:	2010-10-19
最終更新日:	2023-11-03
識別子（ID）:	N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine

00S

00S
表記:	4-(aminomethyl)benzenecarboximidamide
組成式:	C8 H11 N3
SMILES:	[N@H]=C(c1ccc(cc1)CN)N
InChi:	InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
定義日:	2010-11-12
最終更新日:	2023-11-03
識別子（ID）:	4-(aminomethyl)benzenecarboximidamide

010

010
表記:	phenylmethanol
組成式:	C7 H8 O
SMILES:	OCc1ccccc1
InChi:	InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
定義日:	2010-11-15
最終更新日:	2023-11-03
公開日:	2013-12-25
識別子（ID）:	phenylmethanol

011

011
表記:	7-aminoheptanoic acid
組成式:	C7 H15 N O2
SMILES:	O=C(O)CCCCCCN
InChi:	InChI=1S/C7H15NO2/c8-6-4-2-1-3-5-7(9)10/h1-6,8H2,(H,9,10)
定義日:	2010-11-16
最終更新日:	2023-11-03
識別子（ID）:	7-aminoheptanoic acid

01B

01B
表記:	(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
組成式:	C10 H13 N O3
SMILES:	O=C(O)C(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1
定義日:	2010-06-18
最終更新日:	2023-11-03
識別子（ID）:	(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid

V7T

V7T
表記:	(2R)-6-azanyl-2-carbamimidamido-hexanoic acid
組成式:	C7 H16 N4 O2
SMILES:	NCCCC[CH](NC(N)=N)C(O)=O
InChi:	InChI=1S/C7H16N4O2/c8-4-2-1-3-5(6(12)13)11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1
定義日:	2021-04-23
最終更新日:	2023-11-03
公開日:	2022-04-06
識別子（ID）:	(2~{R})-6-azanyl-2-carbamimidamido-hexanoic acid

02G

02G
表記:	(3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid
組成式:	C7 H12 O3 S
SMILES:	O=C(O)CC(O)/C=C/CCS
InChi:	InChI=1S/C7H12O3S/c8-6(5-7(9)10)3-1-2-4-11/h1,3,6,8,11H,2,4-5H2,(H,9,10)/b3-1+/t6-/m1/s1
定義日:	2011-05-04
最終更新日:	2023-11-03
識別子（ID）:	(3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid

V8N

V8N
表記:	2-[3-(aminomethyl)phenyl]ethanoic acid
組成式:	C9 H11 N O2
SMILES:	NCc1cccc(CC(O)=O)c1
InChi:	InChI=1S/C9H11NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
定義日:	2021-04-29
最終更新日:	2023-11-03
公開日:	2022-04-06
識別子（ID）:	2-[3-(aminomethyl)phenyl]ethanoic acid

02K

02K
表記:	1-aminocyclohexanecarboxylic acid
組成式:	C7 H13 N O2
SMILES:	O=C(O)C1(N)CCCCC1
InChi:	InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)
定義日:	2011-06-15
最終更新日:	2023-11-03
識別子（ID）:	1-aminocyclohexanecarboxylic acid

02V

02V
表記:	(2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid
組成式:	C9 H11 N O4
SMILES:	O=C(O)C(c1cc(O)c(O)cc1)NC
InChi:	InChI=1S/C9H11NO4/c1-10-8(9(13)14)5-2-3-6(11)7(12)4-5/h2-4,8,10-12H,1H3,(H,13,14)/t8-/m0/s1
定義日:	2011-06-10
最終更新日:	2023-11-03
識別子（ID）:	(2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid

V9C

V9C
表記:	2-phenylethylcarbamic acid
組成式:	C9 H11 N O2
SMILES:	OC(=O)NCCc1ccccc1
InChi:	InChI=1S/C9H11NO2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
定義日:	2017-01-09
最終更新日:	2023-11-03
公開日:	2017-11-15
識別子（ID）:	2-phenylethylcarbamic acid

03E

03E
表記:	1-aminocycloheptanecarboxylic acid
組成式:	C8 H15 N O2
SMILES:	O=C(O)C1(N)CCCCCC1
InChi:	InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)
定義日:	2011-08-14
最終更新日:	2023-11-03
識別子（ID）:	1-aminocycloheptanecarboxylic acid

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