Chemie Search results for query - 日本蛋白质结构数据库

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 39822 results BIRD

OEO

OEO
Name:	N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide
Formula:	C24 H23 N3 O S
SMILES:	O=C(Cc1cncc2ccccc21)N(Cc1ccsc1)c1ccc(cc1)N(C)C
InChi:	InChI=1S/C24H23N3OS/c1-26(2)21-7-9-22(10-8-21)27(16-18-11-12-29-17-18)24(28)13-20-15-25-14-19-5-3-4-6-23(19)20/h3-12,14-15,17H,13,16H2,1-2H3
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide

OFM

OFM
Name:	[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C24 H24 N4 O6
SMILES:	O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)Cc4ccccc4
InChi:	InChI=1S/C24H24N4O6/c1-14-21(27-24(33,34-14)19(25)12-15-5-3-2-4-6-15)22-26-18(23(32)28(22)13-20(30)31)11-16-7-9-17(29)10-8-16/h2-11,14,19,29,33H,12-13,25H2,1H3,(H,30,31)/b18-11-/t14-,19+,24-/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2014-04-30
Last modified:	2023-11-03
Release date:	2014-07-08
Identifier:	[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

2IQ

2IQ
Name:	2-(hexylamino)ethanoic acid
Formula:	C8 H17 N O2
SMILES:	CCCCCCNCC(O)=O
InChi:	InChI=1S/C8H17NO2/c1-2-3-4-5-6-9-7-8(10)11/h9H,2-7H2,1H3,(H,10,11)
Definition date:	2022-01-28
Last modified:	2023-11-03
Release date:	2022-08-31
Identifier:	2-(hexylamino)ethanoic acid

OFX

OFX
Name:	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide
Formula:	C20 H21 N7 O
SMILES:	O=C(Cn1nnc2ccccc21)N(Cc1ccn[NH]1)c1ccc(cc1)N(C)C
InChi:	InChI=1S/C20H21N7O/c1-25(2)16-7-9-17(10-8-16)26(13-15-11-12-21-22-15)20(28)14-27-19-6-4-3-5-18(19)23-24-27/h3-12H,13-14H2,1-2H3,(H,21,22)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide

OG9

OG9
Name:	(pyren-1-yl)acetic acid
Formula:	C18 H12 O2
SMILES:	O=C(O)Cc1ccc2ccc3cccc4ccc1c2c34
InChi:	InChI=1S/C18H12O2/c19-16(20)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9H,10H2,(H,19,20)
Definition date:	2022-04-29
Last modified:	2023-11-03
Release date:	2023-05-10
Identifier:	(pyren-1-yl)acetic acid

OGC

OGC
Name:	gamma-N-methyl-beta-OH-histidine
Formula:	C7 H11 N3 O3
SMILES:	Cn1cncc1[CH](O)[CH](N)C(O)=O
InChi:	InChI=1S/C7H11N3O3/c1-10-3-9-2-4(10)6(11)5(8)7(12)13/h2-3,5-6,11H,8H2,1H3,(H,12,13)/t5-,6-/m1/s1
Synonyms:	(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid
Definition date:	2022-09-07
Last modified:	2023-11-03
Release date:	2023-08-16
Identifier:	(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid

OGF

OGF
Name:	2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
Formula:	C21 H20 N6 O2 S
SMILES:	O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NC(=O)NC)cc1
InChi:	InChI=1S/C21H20N6O2S/c1-22-21(29)23-16-6-8-17(9-7-16)26(12-15-10-11-30-14-15)20(28)13-27-19-5-3-2-4-18(19)24-25-27/h2-11,14H,12-13H2,1H3,(H2,22,23,29)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide

2JH

2JH
Name:	3-cyclobutyl-L-alanine
Formula:	C7 H13 N O2
SMILES:	O=C(O)C(N)CC1CCC1
InChi:	InChI=1S/C7H13NO2/c8-6(7(9)10)4-5-2-1-3-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
Definition date:	2013-10-31
Last modified:	2023-11-03
Release date:	2013-11-20
Identifier:	3-cyclobutyl-L-alanine

OGO

OGO
Name:	4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one
Formula:	C20 H18 N2 O4
SMILES:	O=C(C1=CC(=O)Nc2ccccc21)N1CC(Oc2ccccc2OC)C1
InChi:	InChI=1S/C20H18N2O4/c1-25-17-8-4-5-9-18(17)26-13-11-22(12-13)20(24)15-10-19(23)21-16-7-3-2-6-14(15)16/h2-10,13H,11-12H2,1H3,(H,21,23)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one

OGU

OGU
Name:	2,3-diOH-butyric acid
Formula:	C4 H8 O4
SMILES:	C[CH](O)[CH](O)C(O)=O
InChi:	InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m0/s1
Synonyms:	(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid
Definition date:	2022-09-07
Last modified:	2023-11-03
Release date:	2023-08-16
Identifier:	(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid

2JN

2JN
Name:	2-methyl-D-norleucine
Formula:	C7 H15 N O2
SMILES:	O=C(O)C(N)(CCCC)C
InChi:	InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1
Definition date:	2013-11-01
Last modified:	2023-11-03
Release date:	2014-02-19
Identifier:	2-methyl-D-norleucine

OGZ

OGZ
Name:	[3-(trifluoromethyl)phenyl]methanamine
Formula:	C8 H8 F3 N
SMILES:	NCc1cccc(c1)C(F)(F)F
InChi:	InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
Definition date:	2020-03-09
Last modified:	2023-11-03
Release date:	2021-03-31
Identifier:	[3-(trifluoromethyl)phenyl]methanamine

OHC

OHC
Name:	2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide
Formula:	C17 H18 Cl N3 O2
SMILES:	O=C(Nc1cnccc1C)Cc1cc(CNC(C)=O)cc(Cl)c1
InChi:	InChI=1S/C17H18ClN3O2/c1-11-3-4-19-10-16(11)21-17(23)8-13-5-14(7-15(18)6-13)9-20-12(2)22/h3-7,10H,8-9H2,1-2H3,(H,20,22)(H,21,23)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide

OHD

OHD
Name:	{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C14 H14 Cl N3 O4
SMILES:	NC(C)C1=N/C(C(N1CC(O)=O)=O)=Cc2ccc(c(c2)Cl)O
InChi:	InChI=1S/C14H14ClN3O4/c1-7(16)13-17-10(14(22)18(13)6-12(20)21)5-8-2-3-11(19)9(15)4-8/h2-5,7,19H,6,16H2,1H3,(H,20,21)/b10-5-/t7-/m0/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2019-06-25
Last modified:	2023-11-03
Release date:	2019-08-07
Identifier:	{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

OHI

OHI
Name:	3-(2-OXO-2H-IMIDAZOL-4-YL)-L-ALANINE
Formula:	C6 H7 N3 O3
SMILES:	O=C1N=C(C=N1)CC(N)C(=O)O
InChi:	InChI=1S/C6H7N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)/t4-/m0/s1
Definition date:	2007-07-10
Last modified:	2023-11-03
Identifier:	3-(2-oxo-2H-imidazol-4-yl)-L-alanine

2KT

2KT
Name:	2-KETOBUTYRIC ACID
Formula:	C4 H6 O3
SMILES:	O=C(C(=O)O)CC
InChi:	InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
Synonyms:	2-OXOBUTANOIC ACID
Definition date:	2003-12-10
Last modified:	2023-11-03
Identifier:	2-oxobutanoic acid

OI4

OI4
Name:	(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C16 H15 Cl N2 O2
SMILES:	Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C16H15ClN2O2/c1-10-4-6-18-9-14(10)19-16(20)12-5-7-21-15-3-2-11(17)8-13(12)15/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t12-/m1/s1
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

2KY

2KY
Name:	(2S)-amino(cyclopentyl)ethanoic acid
Formula:	C7 H13 N O2
SMILES:	O=C(O)C(N)C1CCCC1
InChi:	InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1
Definition date:	2013-11-22
Last modified:	2023-11-03
Release date:	2018-02-28
Identifier:	(2S)-amino(cyclopentyl)ethanoic acid

OIB

OIB
Name:	hydroxylated gamma-amino valeroyl moiety
Formula:	C6 H13 N O5
SMILES:	CO[CH](CN)[CH](O)[CH](O)C(O)=O
InChi:	InChI=1S/C6H13NO5/c1-12-3(2-7)4(8)5(9)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1
Synonyms:	(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid
Definition date:	2022-09-08
Last modified:	2023-11-03
Release date:	2023-08-16
Identifier:	(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid

OIC

OIC
Name:	OCTAHYDROINDOLE-2-CARBOXYLIC ACID
Formula:	C9 H15 N O2
SMILES:	O=C(O)C1NC2CCCCC2C1
InChi:	InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid

2L5

2L5
Name:	2-chloro-L-phenylalanine
Formula:	C9 H10 Cl N O2
SMILES:	Clc1ccccc1CC(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2013-11-25
Last modified:	2023-11-03
Release date:	2014-10-15
Identifier:	2-chloro-L-phenylalanine

OIE

OIE
Name:	2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
Formula:	C16 H12 Cl N3 O
SMILES:	O=C(Cc1cc(Cl)ccn1)Nc1cncc2ccccc21
InChi:	InChI=1S/C16H12ClN3O/c17-12-5-6-19-13(7-12)8-16(21)20-15-10-18-9-11-3-1-2-4-14(11)15/h1-7,9-10H,8H2,(H,20,21)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide

2L6

2L6
Name:	(3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid
Formula:	C12 H16 N2 O3
SMILES:	O=C(O)C3N2C(=O)C1(NCCC1)C=CC2CC3
InChi:	InChI=1S/C12H16N2O3/c15-10(16)9-3-2-8-4-6-12(5-1-7-13-12)11(17)14(8)9/h4,6,8-9,13H,1-3,5,7H2,(H,15,16)/t8-,9-,12+/m0/s1
Definition date:	2013-11-25
Last modified:	2023-11-03
Release date:	2014-10-15
Identifier:	(3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid

OIK

OIK
Name:	(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
Formula:	C20 H19 N3 O
SMILES:	O=C(c1cncc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:	InChI=1S/C20H19N3O/c24-20(19-15-21-14-16-6-4-5-9-18(16)19)23-12-10-22(11-13-23)17-7-2-1-3-8-17/h1-9,14-15H,10-13H2
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone

OIL

OIL
Name:	(2S,3S)-2-hydroxy-3-methylpentanoic acid
Formula:	C6 H12 O3
SMILES:	O=C(O)C(O)C(C)CC
InChi:	InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
Definition date:	2011-01-13
Last modified:	2023-11-03
Identifier:	(2S,3S)-2-hydroxy-3-methylpentanoic acid

<110 111 112 113 114 115 116117118 119 120 121 122 123 124 125 >

222415

数据于2024-07-10公开中

PDB statistics

PDBj update info

Contact PDBj

numon