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: 39937 件 BIRD

TYW

TYW
表記:	(2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol
組成式:	C9 H13 N O3
SMILES:	Oc1ccc(cc1)CC(N)C(O)O
InChi:	InChI=1S/C9H13NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8-9,11-13H,5,10H2/t8-/m0/s1
定義日:	2011-09-27
最終更新日:	2023-11-03
識別子（ID）:	(2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol

TYY

TYY
表記:	3-(4-HYDROXY-3-IMINO-6-OXO-CYCLOHEXA-1,4-DIENYL)-ALANINE
組成式:	C9 H10 N2 O4
SMILES:	O=C1C=C(O)C(=[N@H])C=C1CC(C(=O)O)N
InChi:	InChI=1S/C9H10N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,10,13H,2,11H2,(H,14,15)/b10-5-/t6-/m0/s1
定義日:	1999-08-26
最終更新日:	2023-11-03
識別子（ID）:	3-[(3Z)-4-hydroxy-3-imino-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine

VME

VME
表記:	METHYL L-VALINATE
組成式:	C6 H13 N O2
SMILES:	O=C(OC)C(N)C(C)C
InChi:	InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1
別名:	O-METHYLVALINE
定義日:	2006-11-11
最終更新日:	2023-11-03
識別子（ID）:	methyl L-valinate

RWO

RWO
表記:	(4R)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
組成式:	C19 H20 Cl N3 O3 S
SMILES:	Clc1ccc2c(c1)C(C)(CNS2(=O)=O)C(=O)Nc1cncc2CCCCc21
InChi:	InChI=1S/C19H20ClN3O3S/c1-19(11-22-27(25,26)17-7-6-13(20)8-15(17)19)18(24)23-16-10-21-9-12-4-2-3-5-14(12)16/h6-10,22H,2-5,11H2,1H3,(H,23,24)/t19-/m0/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）:	(4R)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide

XYC

XYC
表記:	(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid
組成式:	C8 H15 N O2
SMILES:	N[CH](CC1CCCC1)C(O)=O
InChi:	InChI=1S/C8H15NO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
定義日:	2016-06-10
最終更新日:	2023-11-03
公開日:	2017-05-31
識別子（ID）:	(2~{S})-2-azanyl-3-cyclopentyl-propanoic acid

TYZ

TYZ
表記:	PARA ACETAMIDO BENZOIC ACID
組成式:	C9 H9 N O3
SMILES:	O=C(Nc1ccc(cc1)C(=O)O)C
InChi:	InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
定義日:	2004-08-07
最終更新日:	2023-11-03
識別子（ID）:	4-(acetylamino)benzoic acid

TKL

TKL
表記:	(2S)-2-{4-[(1S)-1,5-diaminopentyl]-1H-1,2,3-triazol-1-yl}-4-methylpentanoic acid
組成式:	C13 H25 N5 O2
SMILES:	O=C(C(n1cc(nn1)C(CCCCN)N)CC(C)C)O
InChi:	InChI=1S/C13H25N5O2/c1-9(2)7-12(13(19)20)18-8-11(16-17-18)10(15)5-3-4-6-14/h8-10,12H,3-7,14-15H2,1-2H3,(H,19,20)/t10-,12-/m0/s1
定義日:	2005-07-29
最終更新日:	2023-11-03
識別子（ID）:	(2S)-2-{4-[(1S)-1,5-diaminopentyl]-1H-1,2,3-triazol-1-yl}-4-methylpentanoic acid

XYG

XYG
表記:	[(4Z)-2-[(1Z)-ETHANIMIDOYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
組成式:	C14 H13 N3 O4
SMILES:	O=C1C(N=C(C(=[N@H])C)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H13N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,15,18H,7H2,1H3,(H,19,20)/b11-6-,15-8+
別名:	CHROMOPHORE (DECARBOXYLATED ASP-TYR-GLY)
定義日:	2006-11-16
最終更新日:	2023-11-03
識別子（ID）:	{(4Z)-2-[(1E)-ethanimidoyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

RWT

RWT
表記:	(4S)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
組成式:	C19 H20 Cl N3 O3 S
SMILES:	Clc1ccc2c(c1)C(C)(CNS2(=O)=O)C(=O)Nc1cncc2CCCCc21
InChi:	InChI=1S/C19H20ClN3O3S/c1-19(11-22-27(25,26)17-7-6-13(20)8-15(17)19)18(24)23-16-10-21-9-12-4-2-3-5-14(12)16/h6-10,22H,2-5,11H2,1H3,(H,23,24)/t19-/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）:	(4S)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide

URL

URL
表記:	[(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid
組成式:	C7 H16 N2 O2
SMILES:	CC(C)C[CH](N)CNC(O)=O
InChi:	InChI=1S/C7H16N2O2/c1-5(2)3-6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1
定義日:	2018-08-22
最終更新日:	2023-11-03
公開日:	2021-02-17
識別子（ID）:	[(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid

NFK

NFK
表記:	N'-Formylkynurenine
組成式:	C11 H12 N2 O4
SMILES:	O=C(O)C(CC(c1ccccc1NC=O)=O)N
InChi:	InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1
別名:	(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid
定義日:	2016-10-04
最終更新日:	2023-11-03
公開日:	2016-10-26
識別子（ID）:	(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid

PIA

PIA
表記:	[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
組成式:	C14 H15 N3 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C)=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H15N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,19,20)/b11-6-/t8-/m0/s1
定義日:	2001-06-22
最終更新日:	2023-11-03
識別子（ID）:	[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

T69

T69
表記:	(2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid
組成式:	C19 H35 N O4 S
SMILES:	CC(=C/C1NC(SC1)C(C)C(O)CC(C)CC(O)C(C)(C)C)C(=O)O
InChi:	InChI=1S/C19H35NO4S/c1-11(8-16(22)19(4,5)6)7-15(21)13(3)17-20-14(10-25-17)9-12(2)18(23)24/h9,11,13-17,20-22H,7-8,10H2,1-6H3,(H,23,24)/b12-9+/t11-,13-,14-,15-,16-,17+/m0/s1
定義日:	2022-07-18
最終更新日:	2023-11-03
公開日:	2023-05-24
識別子（ID）:	(2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid

P3L

P3L
表記:	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:	C15 H17 Cl N2 O3
SMILES:	O=C1CC(CCN1)NC(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C15H17ClN2O3/c16-9-1-2-13-12(7-9)11(4-6-21-13)15(20)18-10-3-5-17-14(19)8-10/h1-2,7,10-11H,3-6,8H2,(H,17,19)(H,18,20)/t10-,11-/m1/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）:	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide

RX9

RX9
表記:	Dehydroisoleucine
組成式:	C6 H11 N O2
SMILES:	CCC(C)=C(N)C(O)=O
InChi:	InChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h3,7H2,1-2H3,(H,8,9)/b5-4+
別名:	(E)-2-azanyl-3-methyl-pent-2-enoic acid
定義日:	2022-12-09
最終更新日:	2023-11-03
公開日:	2023-01-18
識別子（ID）:	(~{E})-2-azanyl-3-methyl-pent-2-enoic acid

P3Q

P3Q
表記:	2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine
組成式:	C21 H24 N2 O5
SMILES:	N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O
InChi:	InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1
定義日:	2009-11-19
最終更新日:	2023-11-03
識別子（ID）:	(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid

XYX

XYX
表記:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide
組成式:	C24 H23 B N O5
SMILES:	CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1
定義日:	2023-06-09
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide

URV

URV
表記:	[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
組成式:	C6 H14 N2 O2
SMILES:	CC(C)[CH](N)CNC(O)=O
InChi:	InChI=1S/C6H14N2O2/c1-4(2)5(7)3-8-6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m1/s1
定義日:	2019-10-12
最終更新日:	2023-11-03
公開日:	2021-02-17
識別子（ID）:	[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid

02A

02A
表記:	(2S)-azetidine-2-carboxylic acid
組成式:	C4 H7 N O2
SMILES:	O=C(O)C1NCC1
InChi:	InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
定義日:	2011-02-25
最終更新日:	2023-11-03
識別子（ID）:	(2S)-azetidine-2-carboxylic 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

O9X

O9X
表記:	(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
組成式:	C10 H12 F2 N2 O2
SMILES:	O=C(Nc1cnccc1C)C(C)OC(F)F
InChi:	InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m1/s1
定義日:	2023-08-17
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide

RXL

RXL
表記:	Dehydrovaline
組成式:	C5 H9 N O2
SMILES:	CC(C)=C(N)C(O)=O
InChi:	InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H,7,8)
別名:	2-azanyl-3-methyl-but-2-enoic acid
定義日:	2022-12-09
最終更新日:	2023-11-03
公開日:	2023-01-18
識別子（ID）:	2-azanyl-3-methyl-but-2-enoic acid

02J

02J
表記:	5-methyl-1,2-oxazole-3-carboxylic acid
組成式:	C5 H5 N O3
SMILES:	O=C(O)c1noc(c1)C
InChi:	InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
定義日:	2011-06-17
最終更新日:	2023-11-03
識別子（ID）:	5-methyl-1,2-oxazole-3-carboxylic acid

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

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