Chemie クエリの検索結果 - 日本蛋白質構造データバンク

English 日本語简体中文繁體中文 한국어

✖

ﾒﾆｭｰ

RCSB PDB PDBe BMRB Adv. Search Search help

PDB ウェブページステータス検索化合物検索: 39937 件 BIRD

XZA

XZA
表記:	diazanecarboxylic acid
組成式:	C H4 N2 O2
SMILES:	NNC(O)=O
InChi:	InChI=1S/CH4N2O2/c2-3-1(4)5/h3H,2H2,(H,4,5)
定義日:	2016-06-03
最終更新日:	2023-11-03
公開日:	2017-06-28
識別子（ID）:	diazanecarboxylic acid

PIV

PIV
表記:	PIVALIC ACID
組成式:	C5 H10 O2
SMILES:	O=C(O)C(C)(C)C
InChi:	InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	2,2-dimethylpropanoic 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

YHA

YHA
表記:	Homocitrulline
組成式:	C7 H15 N3 O3
SMILES:	NC(CCCCNC(N)=O)C(=O)O
InChi:	InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1
別名:	N~6~-carbamoyl-L-lysine
定義日:	2021-03-04
最終更新日:	2023-11-03
公開日:	2022-05-25
識別子（ID）:	N~6~-carbamoyl-L-lysine

02N

02N
表記:	1-(4-methylphenyl)methanamine
組成式:	C8 H11 N
SMILES:	NCc1ccc(cc1)C
InChi:	InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3
定義日:	2011-06-17
最終更新日:	2023-11-03
識別子（ID）:	1-(4-methylphenyl)methanamine

USC

USC
表記:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
組成式:	C9 H9 N O6 S
SMILES:	O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C
InChi:	InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)
定義日:	2011-12-08
最終更新日:	2023-11-03
公開日:	2013-01-11
識別子（ID）:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic 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

RXU

RXU
表記:	2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
組成式:	C24 H27 Cl N4 O2
SMILES:	CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3CCCCc32)C1
InChi:	InChI=1S/C24H27ClN4O2/c1-26-22(30)14-28-13-17-6-7-18(25)10-20(17)24(15-28)8-9-29(23(24)31)21-12-27-11-16-4-2-3-5-19(16)21/h6-7,10-12H,2-5,8-9,13-15H2,1H3,(H,26,30)/t24-/m1/s1
定義日:	2023-08-22
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide

NUR

NUR
表記:	2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide
組成式:	C18 H15 Cl N2 O
SMILES:	Clc1cccc(c1)CC(=O)N(C)c1cncc2ccccc21
InChi:	InChI=1S/C18H15ClN2O/c1-21(18(22)10-13-5-4-7-15(19)9-13)17-12-20-11-14-6-2-3-8-16(14)17/h2-9,11-12H,10H2,1H3
定義日:	2023-08-16
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide

PXU

PXU
表記:	2-hydroxy-L-proline
組成式:	C5 H9 N O3
SMILES:	O=C(O)C1(O)NCCC1
InChi:	InChI=1S/C5H9NO3/c7-4(8)5(9)2-1-3-6-5/h6,9H,1-3H2,(H,7,8)/t5-/m1/s1
定義日:	2012-10-03
最終更新日:	2023-11-03
公開日:	2012-10-05
識別子（ID）:	2-hydroxy-L-proline

P4E

P4E
表記:	(2S,4E)-2-amino-5-phenylpent-4-enoic acid
組成式:	C11 H13 N O2
SMILES:	O=C(O)C(N)C/C=C/c1ccccc1
InChi:	InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1
定義日:	2011-10-13
最終更新日:	2023-11-03
識別子（ID）:	(2S,4E)-2-amino-5-phenylpent-4-enoic 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

PJ6

PJ6
表記:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:	C20 H17 Cl N2 O3
SMILES:	Clc1ccc2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m0/s1
定義日:	2023-08-18
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide

SRZ

SRZ
表記:	PROPOXY-L-SERINE
組成式:	C6 H13 N O4
SMILES:	O=C(O)C(N)COCCCO
InChi:	InChI=1S/C6H13NO4/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
定義日:	2013-11-05
最終更新日:	2023-11-03
公開日:	2013-12-04
識別子（ID）:	O-(3-hydroxypropyl)-L-serine

02Y

02Y
表記:	6-diazonio-5-oxo-L-norleucine
組成式:	C6 H10 N3 O3
SMILES:	O=C(CCC(N)C(=O)O)C[N+]#N
InChi:	InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h5H,1-3,7H2/p+1/t5-/m0/s1
定義日:	2011-07-18
最終更新日:	2023-11-03
識別子（ID）:	6-diazonio-5-oxo-L-norleucine

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

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

TLX

TLX
表記:	N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE
組成式:	C13 H27 N3
SMILES:	N21CCCC1N(CCC2)CC(N)CC(C)C
InChi:	InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	(2S)-1-[(8aR)-hexahydropyrrolo[1,2-a]pyrimidin-1(2H)-yl]-4-methylpentan-2-amine

WLU

WLU
表記:	(4R)-5-hydroxy-N-methyl-L-leucine
組成式:	C7 H15 N O3
SMILES:	O=C(O)C(NC)CC(C)CO
InChi:	InChI=1S/C7H15NO3/c1-5(4-9)3-6(8-2)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
定義日:	2013-06-18
最終更新日:	2023-11-03
公開日:	2013-09-18
識別子（ID）:	(4R)-5-hydroxy-N-methyl-L-leucine

VNW

VNW
表記:	8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid
組成式:	C11 H10 N2 O2 Se
SMILES:	C[Se]c1cc(nc2c(N)cccc12)C(O)=O
InChi:	InChI=1S/C11H10N2O2Se/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:	2023-09-14
最終更新日:	2023-11-03
公開日:	2023-10-11
識別子（ID）:	8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid

TLY

TLY
表記:	(2S)-2-azanyl-6-(ethanethioylamino)hexanoic acid
組成式:	C8 H16 N2 O2 S
SMILES:	O=C(O)C(N)CCCCNC(=S)C
InChi:	InChI=1S/C8H16N2O2S/c1-6(13)10-5-3-2-4-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1
別名:	6-N-thiolacetyl-L-lysine
定義日:	2010-03-04
最終更新日:	2023-11-03
識別子（ID）:	N~6~-ethanethioyl-L-lysine

T79

T79
表記:	(2S)-2-azanylhex-4-ynoic acid
組成式:	C6 H9 N O2
SMILES:	CC#CC[CH](N)C(O)=O
InChi:	InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h5H,4,7H2,1H3,(H,8,9)/t5-/m0/s1
別名:	(S)-2-Aminohex-4-ynoic acid
定義日:	2022-12-21
最終更新日:	2023-11-03
公開日:	2023-03-15
識別子（ID）:	(2~{S})-2-azanylhex-4-ynoic acid

PJE

PJE
表記:	(E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
組成式:	C9 H14 N2 O3
SMILES:	N[CH](C[CH]1CCNC1=O)C=CC(O)=O
InChi:	InChI=1S/C9H14N2O3/c10-7(1-2-8(12)13)5-6-3-4-11-9(6)14/h1-2,6-7H,3-5,10H2,(H,11,14)(H,12,13)/b2-1+/t6-,7+/m0/s1
定義日:	2015-11-24
最終更新日:	2023-11-03
公開日:	2015-12-02
識別子（ID）:	(E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid

T7C

T7C
表記:	3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid
組成式:	C7 H14 N2 O3 S
SMILES:	O=C(N)CNCCSCCC(=O)O
InChi:	InChI=1S/C7H14N2O3S/c8-6(10)5-9-2-4-13-3-1-7(11)12/h9H,1-5H2,(H2,8,10)(H,11,12)
定義日:	2022-07-19
最終更新日:	2023-11-03
公開日:	2023-05-24
識別子（ID）:	3-({2-[(2-amino-2-oxoethyl)amino]ethyl}sulfanyl)propanoic acid

<72 73 74 75 76 77 787980 81 82 83 84 85 86 87 >

223532

件を2024-08-07に公開中

PDB statistics

PDBj update info

Contact PDBj

numon