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

N80

N80
表記:	1-ethenyl-L-proline
組成式:	C7 H11 N O2
SMILES:	O=C(O)C1N(C=C)CCC1
InChi:	InChI=1S/C7H11NO2/c1-2-8-5-3-4-6(8)7(9)10/h2,6H,1,3-5H2,(H,9,10)/t6-/m0/s1
定義日:	2014-11-25
最終更新日:	2023-11-03
公開日:	2015-03-11
識別子（ID）:	1-ethenyl-L-proline

6V9

6V9
表記:	2-methyl-1,3-thiazole-5-carboxylic acid
組成式:	C5 H5 N O2 S
SMILES:	Cc1sc(cn1)C(O)=O
InChi:	InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)
定義日:	2016-07-04
最終更新日:	2023-11-03
公開日:	2016-08-17
識別子（ID）:	2-methyl-1,3-thiazole-5-carboxylic acid

6VA

6VA
表記:	(3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol
組成式:	C12 H19 N O2
SMILES:	CC(C)(O)[CH](O)[CH](N)Cc1ccccc1
InChi:	InChI=1S/C12H19NO2/c1-12(2,15)11(14)10(13)8-9-6-4-3-5-7-9/h3-7,10-11,14-15H,8,13H2,1-2H3/t10-,11+/m0/s1
定義日:	2016-07-04
最終更新日:	2023-11-03
公開日:	2016-08-17
識別子（ID）:	(3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol

N8X

N8X
表記:	2-(3,5-dimethylphenyl)-N-(4-methyl-4H-1,2,4-triazol-3-yl)acetamide
組成式:	C13 H16 N4 O
SMILES:	O=C(Nc1nncn1C)Cc1cc(C)cc(C)c1
InChi:	InChI=1S/C13H16N4O/c1-9-4-10(2)6-11(5-9)7-12(18)15-13-16-14-8-17(13)3/h4-6,8H,7H2,1-3H3,(H,15,16,18)
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-(3,5-dimethylphenyl)-N-(4-methyl-4H-1,2,4-triazol-3-yl)acetamide

6VF

6VF
表記:	(2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol
組成式:	C10 H15 N O3
SMILES:	N[CH](Cc1ccc(O)cc1)[CH](O)CO
InChi:	InChI=1S/C10H15NO3/c11-9(10(14)6-12)5-7-1-3-8(13)4-2-7/h1-4,9-10,12-14H,5-6,11H2/t9-,10-/m0/s1
定義日:	2016-07-06
最終更新日:	2023-11-03
公開日:	2016-08-17
識別子（ID）:	(2~{R},3~{S})-3-azanyl-4-(4-hydroxyphenyl)butane-1,2-diol

N9I

N9I
表記:	2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
組成式:	C17 H19 N3 O
SMILES:	Cc1ccncc1CC(=O)Nc1cccc2CCNCc21
InChi:	InChI=1S/C17H19N3O/c1-12-5-7-18-10-14(12)9-17(21)20-16-4-2-3-13-6-8-19-11-15(13)16/h2-5,7,10,19H,6,8-9,11H2,1H3,(H,20,21)
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-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide

N9K

N9K
表記:	(2~{S})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
組成式:	C10 H13 N O3
SMILES:	CN[CH](Cc1ccc(O)cc1)C(O)=O
InChi:	InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1
定義日:	2019-11-19
最終更新日:	2023-11-03
公開日:	2020-03-04
識別子（ID）:	(2~{S})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid

N9P

N9P
表記:	3-pyridin-4-yl-L-alanine
組成式:	C8 H10 N2 O2
SMILES:	NC(C(=O)O)Cc1ccncc1
InChi:	InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
定義日:	2019-05-09
最終更新日:	2023-11-03
公開日:	2020-04-29
識別子（ID）:	3-pyridin-4-yl-L-alanine

NA8

NA8
表記:	(1S)-1-CARBOXY-2-NAPHTHALEN-2-YLETHANAMINIUM
組成式:	C13 H14 N O2
SMILES:	O=C(O)C([NH3+])Cc2ccc1c(cccc1)c2
InChi:	InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/p+1/t12-/m0/s1
定義日:	2009-10-22
最終更新日:	2023-11-03
識別子（ID）:	(1S)-1-carboxy-2-naphthalen-2-ylethanaminium

NAL

NAL
表記:	BETA-(2-NAPHTHYL)-ALANINE
組成式:	C13 H13 N O2
SMILES:	O=C(O)C(N)Cc2ccc1c(cccc1)c2
InChi:	InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
定義日:	1999-07-08
最終更新日:	2023-11-03
識別子（ID）:	(2S)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name)

NB0

NB0
表記:	4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one
組成式:	C20 H18 F N3 O2
SMILES:	O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1F
InChi:	InChI=1S/C20H18FN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)15-13-19(25)22-17-7-3-1-5-14(15)17/h1-8,13H,9-12H2,(H,22,25)
定義日:	2023-08-16
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one

NB6

NB6
表記:	2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:	C14 H13 Br N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cccc(Br)c1
InChi:	InChI=1S/C14H13BrN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)
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-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide

NBQ

NBQ
表記:	2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE
組成式:	C23 H22 N2 O6
SMILES:	O=C(O)C(N)Cc3c(O)cc(O)c(NC(=CC=O)COc2cc1ccccc1cc2)c3
InChi:	InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1
定義日:	2004-03-08
最終更新日:	2023-11-03
識別子（ID）:	2-hydroxy-5-({(1E)-1-[(naphthalen-2-yloxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine

6ZS

6ZS
表記:	L-isovaline
組成式:	C5 H11 N O2
SMILES:	CC[C](C)(N)C(O)=O
InChi:	InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1
定義日:	2016-08-02
最終更新日:	2023-11-03
公開日:	2017-10-04
識別子（ID）:	(2~{S})-2-azanyl-2-methyl-butanoic acid

707

707
表記:	N-(3-bromo-4-methoxybenzoyl)-beta-alanine
組成式:	C11 H12 Br N O4
SMILES:	O=C(O)CCNC(c1cc(c(OC)cc1)Br)=O
InChi:	InChI=1S/C11H12BrNO4/c1-17-9-3-2-7(6-8(9)12)11(16)13-5-4-10(14)15/h2-3,6H,4-5H2,1H3,(H,13,16)(H,14,15)
定義日:	2015-09-11
最終更新日:	2023-11-03
公開日:	2016-02-24
識別子（ID）:	N-(3-bromo-4-methoxybenzoyl)-beta-alanine

RI1

RI1
表記:	(4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
組成式:	C18 H14 Cl N3 O3 S
SMILES:	Clc1ccc2c(c1)C(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H14ClN3O3S/c19-12-5-6-17-14(7-12)15(9-21-26(17,24)25)18(23)22-16-10-20-8-11-3-1-2-4-13(11)16/h1-8,10,15,21H,9H2,(H,22,23)/t15-/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-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide

RIU

RIU
表記:	2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
組成式:	C21 H22 Cl N3 O2
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OCCN(C)C
InChi:	InChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-7-6-16-13-23-14-20(19(16)12-18)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26)
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-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide

RIY

RIY
表記:	(4S)-6-chloro-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:	C21 H21 Cl N4 O3 S
SMILES:	CCNS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C21H21ClN4O3S/c1-2-24-30(28,29)26-12-15-7-8-16(22)9-18(15)19(13-26)21(27)25-20-11-23-10-14-5-3-4-6-17(14)20/h3-11,19,24H,2,12-13H2,1H3,(H,25,27)/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-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

RJ3

RJ3
表記:	4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid
組成式:	C18 H13 Cl N2 O3
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(=O)O
InChi:	InChI=1S/C18H13ClN2O3/c19-14-3-1-2-11(6-14)7-17(22)21-16-10-20-9-13-8-12(18(23)24)4-5-15(13)16/h1-6,8-10H,7H2,(H,21,22)(H,23,24)
定義日:	2023-08-22
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid

RJF

RJF
表記:	(4S)-6-chloro-2-[2-(methylamino)-2-oxoethyl]-N-(5-methylisoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:	C23 H21 Cl N4 O3
SMILES:	Cc1cccc2cncc(NC(=O)C3CN(CC(=O)NC)C(=O)c4ccc(Cl)cc43)c12
InChi:	InChI=1S/C23H21ClN4O3/c1-13-4-3-5-14-9-26-10-19(21(13)14)27-22(30)18-11-28(12-20(29)25-2)23(31)16-7-6-15(24)8-17(16)18/h3-10,18H,11-12H2,1-2H3,(H,25,29)(H,27,30)/t18-/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-2-[2-(methylamino)-2-oxoethyl]-N-(5-methylisoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

RJO

RJO
表記:	(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:	C22 H18 Cl F N4 O3
SMILES:	Fc1cc2c(cc1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21
InChi:	InChI=1S/C22H18ClFN4O3/c1-25-20(29)11-28-10-18(17-6-13(23)3-5-15(17)22(28)31)21(30)27-19-9-26-8-12-2-4-14(24)7-16(12)19/h2-9,18H,10-11H2,1H3,(H,25,29)(H,27,30)/t18-/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-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

RJX

RJX
表記:	4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acid
組成式:	C18 H13 Cl N2 O3
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(=O)O
InChi:	InChI=1S/C18H13ClN2O3/c19-14-3-1-2-11(6-14)7-17(22)21-16-10-20-9-13-5-4-12(18(23)24)8-15(13)16/h1-6,8-10H,7H2,(H,21,22)(H,23,24)
定義日:	2023-08-22
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acid

73C

73C
表記:	(2~{S})-2-azanyl-3-butoxy-propanoic acid
組成式:	C7 H15 N O3
SMILES:	CCCCOC[CH](N)C(O)=O
InChi:	InChI=1S/C7H15NO3/c1-2-3-4-11-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
定義日:	2015-12-22
最終更新日:	2023-11-03
公開日:	2016-06-15
識別子（ID）:	(2~{S})-2-azanyl-3-butoxy-propanoic acid

RK6

RK6
表記:	4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-7-carboxamide
組成式:	C19 H16 Cl N3 O2
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(=O)NC
InChi:	InChI=1S/C19H16ClN3O2/c1-21-19(25)13-5-6-16-14(9-13)10-22-11-17(16)23-18(24)8-12-3-2-4-15(20)7-12/h2-7,9-11H,8H2,1H3,(H,21,25)(H,23,24)
定義日:	2023-08-22
最終更新日:	2023-11-03
公開日:	2023-11-08
識別子（ID）:	4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-7-carboxamide

73N

73N
表記:	(2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid
組成式:	C7 H14 N4 O4
SMILES:	NC(=N)NCCC[CH](NC(O)=O)C(O)=O
InChi:	InChI=1S/C7H14N4O4/c8-6(9)10-3-1-2-4(5(12)13)11-7(14)15/h4,11H,1-3H2,(H,12,13)(H,14,15)(H4,8,9,10)/t4-/m0/s1
定義日:	2016-08-19
最終更新日:	2023-11-03
公開日:	2016-09-21
識別子（ID）:	(2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid

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