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

BYR

BYR
表記:	3-bromo-L-tyrosine
組成式:	C9 H10 Br N O3
SMILES:	Brc1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10BrNO3/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:	2013-12-17
最終更新日:	2023-11-03
公開日:	2015-08-19
識別子（ID）:	3-bromo-L-tyrosine

BZK

BZK
表記:	(2S, 4S, 6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid
組成式:	C11 H21 N O4
SMILES:	CCC(=O)C[CH](O)C[CH](C)C[CH](N)C(O)=O
InChi:	InChI=1S/C11H21NO4/c1-3-8(13)6-9(14)4-7(2)5-10(12)11(15)16/h7,9-10,14H,3-6,12H2,1-2H3,(H,15,16)/t7-,9+,10+/m1/s1
定義日:	2017-11-01
最終更新日:	2023-11-03
公開日:	2018-07-18
識別子（ID）:	(2~{S},4~{S},6~{S})-2-azanyl-4-methyl-6-oxidanyl-8-oxidanylidene-decanoic acid

H9D

H9D
表記:	(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
組成式:	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)
定義日:	2023-07-21
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	(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

HAQ

HAQ
表記:	5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID
組成式:	C13 H14 N2 O3
SMILES:	O=C(O)C2N3c1c(cccc1C2)CCC(N)C3=O
InChi:	InChI=1S/C13H14N2O3/c14-9-5-4-7-2-1-3-8-6-10(13(17)18)15(11(7)8)12(9)16/h1-3,9-10H,4-6,14H2,(H,17,18)/t9-,10-/m0/s1
定義日:	1999-10-14
最終更新日:	2023-11-03
識別子（ID）:	(2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid

HCI

HCI
表記:	HYDROCINNAMIC ACID
組成式:	C9 H10 O2
SMILES:	O=C(O)CCc1ccccc1
InChi:	InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
別名:	3PP
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	3-phenylpropanoic acid

HCL

HCL
表記:	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
組成式:	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
定義日:	2012-03-05
最終更新日:	2023-11-03
識別子（ID）:	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid

99Y

99Y
表記:	4-carboxy-D-phenylalanine
組成式:	C10 H11 N O4
SMILES:	C(N)(Cc1ccc(C(=O)O)cc1)C(=O)O
InChi:	InChI=1S/C10H11NO4/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)/t8-/m1/s1
定義日:	2017-04-11
最終更新日:	2023-11-03
公開日:	2017-11-15
識別子（ID）:	4-carboxy-D-phenylalanine

HF2

HF2
表記:	(2R)-2-hydroxy-3-phenylpropanoic acid
組成式:	C9 H10 O3
SMILES:	O=C(O)C(O)Cc1ccccc1
InChi:	InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
定義日:	2010-07-12
最終更新日:	2023-11-03
識別子（ID）:	(2R)-2-hydroxy-3-phenylpropanoic acid

HFA

HFA
表記:	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID
組成式:	C9 H10 O3
SMILES:	O=C(O)C(O)Cc1ccccc1
InChi:	InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	(2S)-2-hydroxy-3-phenylpropanoic acid

9DK

9DK
表記:	3-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid
組成式:	C10 H15 N3 O3
SMILES:	CC(C)(C(O)=O)C(=O)NCCc1c[nH]cn1
InChi:	InChI=1S/C10H15N3O3/c1-10(2,9(15)16)8(14)12-4-3-7-5-11-6-13-7/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)
定義日:	2017-05-11
最終更新日:	2023-11-03
公開日:	2017-06-14
識別子（ID）:	3-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid

9DQ

9DQ
表記:	(2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propanoic acid
組成式:	C4 H7 N5 O2
SMILES:	N[CH](Cc1[nH]nnn1)C(O)=O
InChi:	InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)/t2-/m0/s1
定義日:	2017-05-11
最終更新日:	2023-11-03
公開日:	2017-06-14
識別子（ID）:	(2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propanoic acid

9DT

9DT
表記:	(2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid
組成式:	C10 H12 F N O2
SMILES:	C[C](N)(Cc1ccccc1F)C(O)=O
InChi:	InChI=1S/C10H12FNO2/c1-10(12,9(13)14)6-7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1
定義日:	2017-05-11
最終更新日:	2023-11-03
公開日:	2017-06-14
識別子（ID）:	(2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid

9DW

9DW
表記:	(2~{S})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid
組成式:	C18 H21 N O3
SMILES:	CCc1cc(OC)ccc1c2ccc(C[CH](N)C(O)=O)cc2
InChi:	InChI=1S/C18H21NO3/c1-3-13-11-15(22-2)8-9-16(13)14-6-4-12(5-7-14)10-17(19)18(20)21/h4-9,11,17H,3,10,19H2,1-2H3,(H,20,21)/t17-/m0/s1
定義日:	2017-05-11
最終更新日:	2023-11-03
公開日:	2017-06-14
識別子（ID）:	(2~{S})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid

HGY

HGY
表記:	(2S)-amino(hydroxy)ethanoic acid
組成式:	C2 H5 N O3
SMILES:	O=C(O)C(O)N
InChi:	InChI=1S/C2H5NO3/c3-1(4)2(5)6/h1,4H,3H2,(H,5,6)/t1-/m0/s1
別名:	2-hydroxyglycine
定義日:	2014-04-10
最終更新日:	2023-11-03
公開日:	2014-07-23
識別子（ID）:	(2S)-amino(hydroxy)ethanoic acid

9EV

9EV
表記:	6-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine
組成式:	C16 H24 N3 O9 P
SMILES:	C2(c1c(c(C)ncc1COP(=O)(O)O)O)N(CC(O2)=O)CCCCC(C(O)=O)N
InChi:	InChI=1S/C16H24N3O9P/c1-9-14(21)13(10(6-18-9)8-27-29(24,25)26)15-19(7-12(20)28-15)5-3-2-4-11(17)16(22)23/h6,11,15,21H,2-5,7-8,17H2,1H3,(H,22,23)(H2,24,25,26)/t11-,15+/m0/s1
定義日:	2017-05-03
最終更新日:	2023-11-03
公開日:	2017-05-17
識別子（ID）:	6-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine

9FB

9FB
表記:	(1~{S},2~{R})-2-azanylcyclopentane-1-carboxylic acid
組成式:	C6 H11 N O2
SMILES:	N[CH]1CCC[CH]1C(O)=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+/m0/s1
定義日:	2017-05-16
最終更新日:	2023-11-03
公開日:	2020-10-28
識別子（ID）:	(1~{S},2~{R})-2-azanylcyclopentane-1-carboxylic acid

9FZ

9FZ
表記:	(2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid
組成式:	C8 H14 N4 O2
SMILES:	Cc1cn(CCC[CH](N)C(O)=O)nn1
InChi:	InChI=1S/C8H14N4O2/c1-6-5-12(11-10-6)4-2-3-7(9)8(13)14/h5,7H,2-4,9H2,1H3,(H,13,14)/t7-/m0/s1
定義日:	2017-05-17
最終更新日:	2023-11-03
公開日:	2017-08-30
識別子（ID）:	(2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid

9G2

9G2
表記:	(2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid
組成式:	C9 H16 N4 O2
SMILES:	CCc1cn(CCC[CH](N)C(O)=O)nn1
InChi:	InChI=1S/C9H16N4O2/c1-2-7-6-13(12-11-7)5-3-4-8(10)9(14)15/h6,8H,2-5,10H2,1H3,(H,14,15)/t8-/m0/s1
定義日:	2017-05-17
最終更新日:	2023-11-03
公開日:	2017-08-30
識別子（ID）:	(2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid

HIQ

HIQ
表記:	1-[1,2-DIHYDROXY-1-(HYDROXYMETHYL)ETHYL]-L-HISTIDINE
組成式:	C9 H15 N3 O5
SMILES:	O=C(O)C(N)Cc1ncn(c1)C(O)(CO)CO
InChi:	InChI=1S/C9H15N3O5/c10-7(8(15)16)1-6-2-12(5-11-6)9(17,3-13)4-14/h2,5,7,13-14,17H,1,3-4,10H2,(H,15,16)/t7-/m0/s1
定義日:	2006-05-27
最終更新日:	2023-11-03
識別子（ID）:	1-[1,2-dihydroxy-1-(hydroxymethyl)ethyl]-L-histidine

HIX

HIX
表記:	3-(1H-1,2,3-triazol-5-yl)-L-alanine
組成式:	C5 H8 N4 O2
SMILES:	NC(C(O)=O)Cc1nnnc1
InChi:	InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1
定義日:	2015-05-26
最終更新日:	2023-11-03
公開日:	2016-02-03
識別子（ID）:	3-(1H-1,2,3-triazol-5-yl)-L-alanine

9IJ

9IJ
表記:	2-cyano-L-phenylalanine
組成式:	C10 H10 N2 O2
SMILES:	NC(Cc1ccccc1C#N)C(=O)O
InChi:	InChI=1S/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
定義日:	2021-10-18
最終更新日:	2023-11-03
公開日:	2022-05-11
識別子（ID）:	2-cyano-L-phenylalanine

HL5

HL5
表記:	(2S,4R)-5-hydroxyleucine
組成式:	C6 H13 N O3
SMILES:	C[CH](CO)C[CH](N)C(O)=O
InChi:	InChI=1S/C6H13NO3/c1-4(3-8)2-5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5+/m1/s1
定義日:	2017-03-07
最終更新日:	2023-11-03
公開日:	2017-10-04
識別子（ID）:	(2~{S},4~{R})-2-azanyl-4-methyl-5-oxidanyl-pentanoic acid

HLX

HLX
表記:	5-methyl-L-norleucine
組成式:	C7 H15 N O2
SMILES:	O=C(O)C(N)CCC(C)C
InChi:	InChI=1S/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
定義日:	2013-03-28
最終更新日:	2023-11-03
公開日:	2013-06-12
識別子（ID）:	5-methyl-L-norleucine

LCU

LCU
表記:	2-[(1R,3s,5S)-bicyclo[3.1.0]hexan-3-yl]-N-(4-methylpyridin-3-yl)acetamide
組成式:	C14 H18 N2 O
SMILES:	O=C(Nc1cnccc1C)CC1CC2CC2C1
InChi:	InChI=1S/C14H18N2O/c1-9-2-3-15-8-13(9)16-14(17)6-10-4-11-7-12(11)5-10/h2-3,8,10-12H,4-7H2,1H3,(H,16,17)/t10-,11+,12-
定義日:	2023-08-15
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	2-[(1R,3s,5S)-bicyclo[3.1.0]hexan-3-yl]-N-(4-methylpyridin-3-yl)acetamide

9JV

9JV
表記:	8-azanyl-4-methoxy-quinoline-2-carboxylic acid
組成式:	C11 H10 N2 O3
SMILES:	COc1cc(nc2c(N)cccc12)C(O)=O
InChi:	InChI=1S/C11H10N2O3/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15)
定義日:	2021-11-15
最終更新日:	2023-11-03
公開日:	2023-09-27
識別子（ID）:	8-azanyl-4-methoxy-quinoline-2-carboxylic acid

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