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: 39937 results BIRD

O7D

O7D
Name:	4-methoxy-N-methyl-L-tryptophan
Formula:	C13 H16 N2 O3
SMILES:	CNC(Cc1cnc2cccc(c12)OC)C(=O)O
InChi:	InChI=1S/C13H16N2O3/c1-14-10(13(16)17)6-8-7-15-9-4-3-5-11(18-2)12(8)9/h3-5,7,10,14-15H,6H2,1-2H3,(H,16,17)/t10-/m0/s1
Definition date:	2019-06-17
Last modified:	2023-11-03
Release date:	2020-05-13
Identifier:	4-methoxy-N-methyl-L-tryptophan

YTF

YTF
Name:	ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate
Formula:	C9 H18 N2 O3
SMILES:	CCOC(=O)CC[CH](N)CCC(N)=O
InChi:	InChI=1S/C9H18N2O3/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h7H,2-6,10H2,1H3,(H2,11,12)/t7-/m0/s1
Definition date:	2023-02-21
Last modified:	2023-11-03
Release date:	2023-03-01
Identifier:	ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate

XW1

XW1
Name:	(2S)-2-amino-7-ethoxy-7-oxoheptanoic acid
Formula:	C9 H17 N O4
SMILES:	O=C(OCC)CCCCC(C(=O)O)N
InChi:	InChI=1S/C9H17NO4/c1-2-14-8(11)6-4-3-5-7(10)9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1
Definition date:	2011-06-14
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-7-ethoxy-7-oxoheptanoic acid

TIS

TIS
Name:	O-(1,1-dihydroxyethyl)-L-serine
Formula:	C5 H11 N O5
SMILES:	O=C(O)C(N)COC(O)(O)C
InChi:	InChI=1S/C5H11NO5/c1-5(9,10)11-2-3(6)4(7)8/h3,9-10H,2,6H2,1H3,(H,7,8)/t3-/m0/s1
Definition date:	2009-01-28
Last modified:	2023-11-03
Identifier:	O-(1,1-dihydroxyethyl)-L-serine

V5F

V5F
Name:	(2R)-2-(2-azanylphenoxy)propanoic acid
Formula:	C9 H11 N O3
SMILES:	C[CH](Oc1ccccc1N)C(O)=O
InChi:	InChI=1S/C9H11NO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1
Definition date:	2023-02-21
Last modified:	2023-11-03
Release date:	2023-07-19
Identifier:	(2~{R})-2-(2-azanylphenoxy)propanoic acid

YTH

YTH
Name:	O-phosphono-L-allothreonine
Formula:	C4 H10 N O6 P
SMILES:	O=P(OC(C)C(N)C(=O)O)(O)O
InChi:	InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3-/m0/s1
Definition date:	2014-10-07
Last modified:	2023-11-03
Release date:	2014-12-03
Identifier:	O-phosphono-L-allothreonine

O7G

O7G
Name:	N,N-dimethyl-L-valine
Formula:	C7 H15 N O2
SMILES:	N(C)(C)C(C(=O)O)C(C)C
InChi:	InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1
Definition date:	2019-06-17
Last modified:	2023-11-03
Release date:	2020-05-13
Identifier:	N,N-dimethyl-L-valine

ZYJ

ZYJ
Name:	(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
Formula:	C14 H18 N2 O5
SMILES:	O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2
InChi:	InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1
Definition date:	2010-10-22
Last modified:	2023-11-03
Identifier:	(4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline

RV0

RV0
Name:	(4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
Formula:	C20 H18 Cl N3 O3 S
SMILES:	Clc1ccc2c(c1)C(CNS2(=O)=O)(CC)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H18ClN3O3S/c1-2-20(12-23-28(26,27)18-8-7-14(21)9-16(18)20)19(25)24-17-11-22-10-13-5-3-4-6-15(13)17/h3-11,23H,2,12H2,1H3,(H,24,25)/t20-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide

ZYK

ZYK
Name:	(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline
Formula:	C14 H18 N2 O6
SMILES:	O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2
InChi:	InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1
Synonyms:	3,4-dimethoxybenzamidoxy proline
Definition date:	2010-10-22
Last modified:	2023-11-03
Identifier:	(4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline

004

004
Name:	(2S)-amino(phenyl)ethanoic acid
Formula:	C8 H9 N O2
SMILES:	O=C(O)C(N)c1ccccc1
InChi:	InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1
Synonyms:	L-Phenylglycine
Definition date:	2010-04-27
Last modified:	2023-11-03
Identifier:	(2S)-amino(phenyl)ethanoic acid

V5N

V5N
Name:	(2S,3S)-2-azanyl-3-(1H-imidazol-5-yl)-3-oxidanyl-propanoic acid
Formula:	C6 H9 N3 O3
SMILES:	N[CH]([CH](O)c1[nH]cnc1)C(O)=O
InChi:	InChI=1S/C6H9N3O3/c7-4(6(11)12)5(10)3-1-8-2-9-3/h1-2,4-5,10H,7H2,(H,8,9)(H,11,12)/t4-,5+/m0/s1
Definition date:	2021-04-19
Last modified:	2023-11-03
Release date:	2021-06-02
Identifier:	(2~{S},3~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)-3-oxidanyl-propanoic acid

ZHW

ZHW
Name:	(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
Formula:	C9 H10 F N O3 S
SMILES:	FS(=O)(=O)Oc1cccc2c1CCC2N
InChi:	InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1
Definition date:	2023-03-10
Last modified:	2023-11-03
Release date:	2023-07-05
Identifier:	(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate

PVA

PVA
Name:	1-AMINO-2-METHYL-PROPYLPHOSPHONIC ACID
Formula:	C4 H12 N O3 P
SMILES:	O=P(O)(O)C(N)C(C)C
InChi:	InChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-2-methylpropyl]phosphonic acid

P1V

P1V
Name:	(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
Formula:	C9 H16 N4 O2
SMILES:	Cc1[nH]nc(CCCC[CH](N)C(O)=O)n1
InChi:	InChI=1S/C9H16N4O2/c1-6-11-8(13-12-6)5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1
Definition date:	2022-09-29
Last modified:	2023-11-03
Release date:	2023-01-11
Identifier:	(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid

00C

00C
Name:	3-sulfo-D-alanine
Formula:	C3 H7 N O5 S
SMILES:	O=C(O)C(N)CS(=O)(=O)O
InChi:	InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1
Synonyms:	D-Cysteine sulfinic acid
Definition date:	2008-12-24
Last modified:	2023-11-03
Identifier:	3-sulfo-D-alanine

NSF

NSF
Name:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C12 H15 I N4 O6
SMILES:	OC(=O)CN(C1COCC1N)C(=O)CN1C=C(I)C(=O)NC1=O
InChi:	InChI=1S/C12H15IN4O6/c13-6-1-16(12(22)15-11(6)21)2-9(18)17(3-10(19)20)8-5-23-4-7(8)14/h1,7-8H,2-5,14H2,(H,19,20)(H,15,21,22)/t7-,8-/m0/s1
Definition date:	2022-04-07
Last modified:	2023-11-03
Release date:	2023-04-05
Identifier:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

00E

00E
Name:	morpholin-4-ylacetic acid
Formula:	C6 H11 N O3
SMILES:	O=C(O)CN1CCOCC1
InChi:	InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)
Definition date:	2010-04-27
Last modified:	2023-11-03
Identifier:	morpholin-4-ylacetic acid

XX1

XX1
Name:	N~6~-7H-PURIN-6-YL-L-LYSINE
Formula:	C11 H16 N6 O2
SMILES:	O=C(O)C(N)CCCCNc1ncnc2ncnc12
InChi:	InChI=1S/C11H16N6O2/c12-7(11(18)19)3-1-2-4-13-9-8-10(15-5-14-8)17-6-16-9/h5-7H,1-4,12H2,(H,18,19)(H2,13,14,15,16,17)/t7-/m0/s1
Definition date:	2007-04-26
Last modified:	2023-11-03
Identifier:	N~6~-7H-purin-6-yl-L-lysine

XEP

XEP
Name:	2-nitrosopropane
Formula:	C3 H7 N O
SMILES:	CC(N=O)C
InChi:	InChI=1S/C3H7NO/c1-3(2)4-5/h3H,1-2H3
Definition date:	2020-12-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-nitrosopropane

PVH

PVH
Name:	HISTIDINE-METHYL-ESTER
Formula:	C7 H12 N3 O2
SMILES:	O=C(OC)C(N)Cc1cnc[nH+]1
InChi:	InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)/p+1/t6-/m0/s1
Definition date:	2001-04-02
Last modified:	2023-11-03
Identifier:	methyl 3-(1H-imidazol-3-ium-4-yl)-L-alaninate

UQ0

UQ0
Name:	2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE
Formula:	C9 H10 O4
SMILES:	O=C1C=C(C(=O)C(OC)=C1OC)C
InChi:	InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3
Definition date:	2011-11-26
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione

00I

00I
Name:	N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine
Formula:	C30 H35 N5 O6 S
SMILES:	O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c3cc2ccccc2cc3)CCC(=O)O)Cc4ccc(C(=[N@H])N)cc4
InChi:	InChI=1S/C30H35N5O6S/c31-28(32)22-10-8-20(9-11-22)18-26(30(39)35-16-4-1-5-17-35)33-29(38)25(14-15-27(36)37)34-42(40,41)24-13-12-21-6-2-3-7-23(21)19-24/h2-3,6-13,19,25-26,34H,1,4-5,14-18H2,(H3,31,32)(H,33,38)(H,36,37)/t25-,26+/m0/s1
Definition date:	2010-10-19
Last modified:	2023-11-03
Identifier:	N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine

RVJ

RVJ
Name:	3-triazan-1-yl-L-alanine
Formula:	C3 H10 N4 O2
SMILES:	NC(CNNN)C(=O)O
InChi:	InChI=1S/C3H10N4O2/c4-2(3(8)9)1-6-7-5/h2,6-7H,1,4-5H2,(H,8,9)/t2-/m0/s1
Definition date:	2020-02-26
Last modified:	2023-11-03
Release date:	2020-07-01
Identifier:	3-triazan-1-yl-L-alanine

V61

V61
Name:	2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine
Formula:	C9 H6 F4 I N O2
SMILES:	c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F
InChi:	InChI=1S/C9H6F4INO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
Definition date:	2020-07-06
Last modified:	2023-11-03
Release date:	2021-07-07
Identifier:	2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine

<68 69 70 71 72 73 747576 77 78 79 80 81 82 83 >

223532

数据于2024-08-07公开中

PDB statistics

PDBj update info

Contact PDBj

numon