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: 44145 results BIRD

3FG

3FG
Name:	(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid
Formula:	C8 H9 N O4
SMILES:	O=C(O)C(c1cc(O)cc(O)c1)N
InChi:	InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
Definition date:	2009-03-27
Last modified:	2024-09-27
Identifier:	(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid

3FO

3FO
Name:	N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide
Formula:	C22 H26 Cl N5 O5 S
SMILES:	Clc1cc(ccc1)C(NS(=O)(=O)C)C(=O)NC(C(=O)NCC(=O)NCC=[N@H])Cc2ccccc2
InChi:	InChI=1S/C22H26ClN5O5S/c1-34(32,33)28-20(16-8-5-9-17(23)13-16)22(31)27-18(12-15-6-3-2-4-7-15)21(30)26-14-19(29)25-11-10-24/h2-10,13,18,20,24,28H,11-12,14H2,1H3,(H,25,29)(H,26,30)(H,27,31)/b24-10-/t18-,20-/m0/s1
Definition date:	2014-08-11
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide

3FS

3FS
Name:	N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide
Formula:	C16 H20 Cl2 N4 O4
SMILES:	Clc1cc(cc(Cl)c1)CC(=O)NC(C(=O)NCC(=O)NCC=[N@H])C(O)C
InChi:	InChI=1S/C16H20Cl2N4O4/c1-9(23)15(16(26)21-8-14(25)20-3-2-19)22-13(24)6-10-4-11(17)7-12(18)5-10/h2,4-5,7,9,15,19,23H,3,6,8H2,1H3,(H,20,25)(H,21,26)(H,22,24)/b19-2-/t9-,15+/m1/s1
Definition date:	2014-08-11
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide

3FU

3FU
Name:	N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide
Formula:	C22 H28 Cl2 N6 O2
SMILES:	Clc1cc(cc(Cl)c1)C(N(C)C)C(=O)NC(C(=O)NCc2nc(ncc2)C=[N@H])C(C)CC
InChi:	InChI=1S/C22H28Cl2N6O2/c1-5-13(2)19(21(31)27-12-17-6-7-26-18(11-25)28-17)29-22(32)20(30(3)4)14-8-15(23)10-16(24)9-14/h6-11,13,19-20,25H,5,12H2,1-4H3,(H,27,31)(H,29,32)/b25-11-/t13-,19-,20+/m0/s1
Definition date:	2014-08-11
Last modified:	2024-09-27
Release date:	2014-09-10
Identifier:	N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide

3GC

3GC
Name:	GAMMA-GLUTAMYLCYSTEINE
Formula:	C8 H14 N2 O5 S
SMILES:	O=C(O)C(NC(=O)CCC(C(=O)O)N)CS
InChi:	InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
Definition date:	2002-07-01
Last modified:	2024-09-27
Identifier:	L-gamma-glutamyl-L-cysteine

3GE

3GE
Name:	N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
Formula:	C9 H15 N O6 S
SMILES:	O=S(O)C(C)(C)C(NC=C(/CO)C=O)C(=O)O
InChi:	InChI=1S/C9H15NO6S/c1-9(2,17(15)16)7(8(13)14)10-3-6(4-11)5-12/h3-4,7,10,12H,5H2,1-2H3,(H,13,14)(H,15,16)/b6-3-/t7-/m0/s1
Definition date:	2014-08-15
Last modified:	2024-09-27
Release date:	2015-01-21
Identifier:	N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine

3GL

3GL
Name:	(2S,4S)-2-amino-4-hydroxy-pentanedioic acid
Formula:	C5 H9 N O5
SMILES:	O=C(O)C(N)CC(O)C(=O)O
InChi:	InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1
Synonyms:	4-HYDROXY-GLUTAMIC-ACID
Definition date:	2010-11-03
Last modified:	2024-09-27
Identifier:	(2S,4S)-2-amino-4-hydroxypentanedioic acid (non-preferred name)

3HD

3HD
Name:	1,5-anhydro-3-O-methyl-D-mannitol
Formula:	C7 H14 O5
SMILES:	O(C)C1C(O)C(OCC1O)CO
InChi:	InChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
Synonyms:	3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL
Definition date:	2006-06-30
Last modified:	2024-09-27
Identifier:	1,5-anhydro-3-O-methyl-D-mannitol

3HL

3HL
Name:	(3S)-3-HYDROXYBUTANOIC ACID
Formula:	C4 H8 O3
SMILES:	O=C(O)CC(O)C
InChi:	InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
Definition date:	2007-02-15
Last modified:	2024-09-27
Identifier:	(3S)-3-hydroxybutanoic acid

3IB

3IB
Name:	3-INDOLEBUTYRIC ACID
Formula:	C12 H13 N O2
SMILES:	O=C(O)CCCc2c1ccccc1nc2
InChi:	InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-(1H-indol-3-yl)butanoic acid

3IS

3IS
Name:	5-chloranyl-1,3-dihydroindol-2-one
Formula:	C8 H6 Cl N O
SMILES:	Clc1ccc2NC(=O)Cc2c1
InChi:	InChI=1S/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
Definition date:	2020-05-05
Last modified:	2024-09-27
Release date:	2021-05-12
Identifier:	5-chloranyl-1,3-dihydroindol-2-one

3KI

3KI
Name:	(6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
Formula:	C16 H20 O4
SMILES:	O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C
InChi:	InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15-/m1/s1
Definition date:	2021-07-20
Last modified:	2024-09-27
Release date:	2022-07-27
Identifier:	(6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid

3LB

3LB
Name:	(3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
Formula:	C27 H34 N10 O13 S3
SMILES:	O=S(=O)(C)CCCN2C(=O)N(N=C2C=1N=CC(O)C(=O)C=1)S(=O)(=O)NC(=O)NC(CC=C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:	InChI=1S/C27H34N10O13S3/c1-5-7-14(16(12-38)30-22(41)20(17-13-51-24(28)31-17)34-50-27(2,3)23(42)43)32-25(44)35-53(48,49)37-26(45)36(8-6-9-52(4,46)47)21(33-37)15-10-18(39)19(40)11-29-15/h5,10-14,16,19,40H,1,6-9H2,2-4H3,(H2,28,31)(H,30,41)(H,42,43)(H2,32,35,44)/b34-20-/t14-,16-,19-/m1/s1
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2015-04-22
Identifier:	(3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid

3LC

3LC
Name:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
Formula:	C26 H32 N10 O13 S3
SMILES:	O=S(=O)(C)CCCN2C(=O)N(N=C2C1=NC=C(O)C(=O)C1)S(=O)(=O)NC(=O)NC(C=C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:	InChI=1S/C26H32N10O13S3/c1-5-13(15(11-37)29-21(40)19(16-12-50-23(27)30-16)33-49-26(2,3)22(41)42)31-24(43)34-52(47,48)36-25(44)35(7-6-8-51(4,45)46)20(32-36)14-9-17(38)18(39)10-28-14/h5,10-13,15,39H,1,6-9H2,2-4H3,(H2,27,30)(H,29,40)(H,41,42)(H2,31,34,43)/b33-19-/t13-,15+/m0/s1
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2015-04-22
Identifier:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid

3LE

3LE
Name:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid
Formula:	C25 H32 N10 O13 S3
SMILES:	O=S(=O)(C)CCCN2C(=O)N(N=C2C1=NC=C(O)C(=O)C1)S(=O)(=O)NC(=O)NC(C)C(C=O)NC(=O)C(=NOC(C(=O)O)(C)C)/c3nc(sc3)N
InChi:	InChI=1S/C25H32N10O13S3/c1-12(14(10-36)29-20(39)18(15-11-49-22(26)30-15)32-48-25(2,3)21(40)41)28-23(42)33-51(46,47)35-24(43)34(6-5-7-50(4,44)45)19(31-35)13-8-16(37)17(38)9-27-13/h9-12,14,38H,5-8H2,1-4H3,(H2,26,30)(H,29,39)(H,40,41)(H2,28,33,42)/b32-18-/t12-,14+/m0/s1
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2015-04-22
Identifier:	(3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid

3LH

3LH
Name:	N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
Formula:	C25 H21 N5 O2
SMILES:	O=C(Nc1c(ccc(c1)N3c2c5c(ncc2C=CC3=O)ccc(c4cnnc4)c5)C)CC
InChi:	InChI=1S/C25H21N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h4-14H,3H2,1-2H3,(H,27,28)(H,29,31)
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2016-05-04
Identifier:	N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide

3LX

3LX
Name:	tridecanethial
Formula:	C13 H26 S
SMILES:	S=CCCCCCCCCCCCC
InChi:	InChI=1S/C13H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
Definition date:	2014-09-20
Last modified:	2024-09-27
Release date:	2015-03-11
Identifier:	tridecanethial

3MY

3MY
Name:	3-chloro-D-tyrosine
Formula:	C9 H10 Cl N O3
SMILES:	Clc1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m1/s1
Definition date:	2009-03-27
Last modified:	2024-09-27
Identifier:	3-chloro-D-tyrosine

3NK

3NK
Name:	1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE
Formula:	C15 H14 O3
SMILES:	COc1ccc2cc(ccc2c1)C(=O)CC(C)=O
InChi:	InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-6,8-9H,7H2,1-2H3
Definition date:	2011-09-23
Last modified:	2024-09-27
Release date:	2012-11-02
Identifier:	1-(6-methoxynaphthalen-2-yl)butane-1,3-dione

3NP

3NP
Name:	3-NITROPROPANOIC ACID
Formula:	C3 H5 N O4
SMILES:	[O-][N+](=O)CCC(=O)O
InChi:	InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
Definition date:	2005-02-09
Last modified:	2024-09-27
Identifier:	3-nitropropanoic acid

3NS

3NS
Name:	(3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid
Formula:	C21 H30 N4 O5
SMILES:	O=C(O)CC(NC(=O)C(C(C)C)CC(=O)NCCn1c2ccccc2nc1C)CO
InChi:	InChI=1S/C21H30N4O5/c1-13(2)16(21(30)24-15(12-26)10-20(28)29)11-19(27)22-8-9-25-14(3)23-17-6-4-5-7-18(17)25/h4-7,13,15-16,26H,8-12H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/t15-,16-/m0/s1
Definition date:	2010-07-06
Last modified:	2024-09-27
Identifier:	(3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-4-oxo-2-(propan-2-yl)butanoyl]amino}butanoic acid

3OH

3OH
Name:	3-HYDROXY-PROPANOIC ACID
Formula:	C3 H6 O3
SMILES:	O=C(O)CCO
InChi:	InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-hydroxypropanoic acid

3P7

3P7
Name:	(2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3 -oxazine-4-carboxylic acid
Formula:	C18 H18 N2 O9
SMILES:	O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O
InChi:	InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17-,18+/m1/s1
Synonyms:	MOXALACTAM DERIVATIVE (open form)
Definition date:	2014-10-01
Last modified:	2024-09-27
Release date:	2014-10-15
Identifier:	(2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid

3PA

3PA
Name:	3-CYCLOPENTYL-PROPIONIC ACID
Formula:	C8 H14 O2
SMILES:	O=C(O)CCC1CCCC1
InChi:	InChI=1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
Definition date:	2000-08-08
Last modified:	2024-09-27
Identifier:	3-cyclopentylpropanoic acid

3PK

3PK
Name:	(2S)-1-(pentanoyloxy)propan-2-yl hexanoate
Formula:	C14 H26 O4
SMILES:	O=C(OC(C)COC(=O)CCCC)CCCCC
InChi:	InChI=1S/C14H26O4/c1-4-6-8-10-14(16)18-12(3)11-17-13(15)9-7-5-2/h12H,4-11H2,1-3H3/t12-/m0/s1
Definition date:	2010-11-08
Last modified:	2024-09-27
Release date:	2013-10-16
Identifier:	(2S)-1-(pentanoyloxy)propan-2-yl hexanoate

<176 177 178 179 180 181 182183184 185 186 187 188 189 190 191 >

226262

数据于2024-10-16公开中

PDB statistics

PDBj update info

Contact PDBj

numon