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: 44195 results BIRD

B3E

B3E
Name:	(3S)-3-AMINOHEXANEDIOIC ACID
Formula:	C6 H11 N O4
SMILES:	O=C(O)CCC(N)CC(=O)O
InChi:	InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	(3S)-3-aminohexanedioic acid

B3F

B3F
Name:	~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide
Formula:	C20 H26 N2 O2
SMILES:	CCCCCOc1cccc(Nc2ccccc2NC(=O)CC)c1
InChi:	InChI=1S/C20H26N2O2/c1-3-5-8-14-24-17-11-9-10-16(15-17)21-18-12-6-7-13-19(18)22-20(23)4-2/h6-7,9-13,15,21H,3-5,8,14H2,1-2H3,(H,22,23)
Definition date:	2023-07-17
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide

B3G

B3G
Name:	(1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C22 H32 Cl N3 O8 S
SMILES:	C1(=O)NCCC1CC(NC(C(NC(=O)OCCc2cccc(c2)Cl)CC(C)C)=O)C(O)S(=O)(O)=O
InChi:	InChI=1S/C22H32ClN3O8S/c1-13(2)10-17(26-22(30)34-9-7-14-4-3-5-16(23)11-14)20(28)25-18(21(29)35(31,32)33)12-15-6-8-24-19(15)27/h3-5,11,13,15,17-18,21,29H,6-10,12H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,17-,18-,21+/m0/s1
Definition date:	2017-07-31
Last modified:	2024-09-27
Release date:	2018-04-04
Identifier:	(1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

B3J

B3J
Name:	(1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C31 H48 N4 O10 S
SMILES:	C(CC1CCNC1=O)(C(O)S(=O)(O)=O)NC(C(CC(C)C)NC(=O)OC3(Cc2ccccc2)CCN(CC3)C(OC(C)(C)C)=O)=O
InChi:	InChI=1S/C31H48N4O10S/c1-20(2)17-23(26(37)33-24(27(38)46(41,42)43)18-22-11-14-32-25(22)36)34-28(39)44-31(19-21-9-7-6-8-10-21)12-15-35(16-13-31)29(40)45-30(3,4)5/h6-10,20,22-24,27,38H,11-19H2,1-5H3,(H,32,36)(H,33,37)(H,34,39)(H,41,42,43)/t22-,23-,24-,27-/m0/s1
Definition date:	2017-07-31
Last modified:	2024-09-27
Release date:	2018-04-04
Identifier:	(1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

B3K

B3K
Name:	(3S)-3,7-DIAMINOHEPTANOIC ACID
Formula:	C7 H16 N2 O2
SMILES:	O=C(O)CC(N)CCCCN
InChi:	InChI=1S/C7H16N2O2/c8-4-2-1-3-6(9)5-7(10)11/h6H,1-5,8-9H2,(H,10,11)/t6-/m0/s1
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	(3S)-3,7-diaminoheptanoic acid

B3L

B3L
Name:	(3S)-3-amino-5-methylhexanoic acid
Formula:	C7 H15 N O2
SMILES:	O=C(O)CC(N)CC(C)C
InChi:	InChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
Synonyms:	(S)-beta-3-homoleucine
Definition date:	2008-02-05
Last modified:	2024-09-27
Identifier:	(3S)-3-amino-5-methylhexanoic acid

B3M

B3M
Name:	(3R)-3-amino-5-(methylsulfanyl)pentanoic acid
Formula:	C6 H13 N O2 S
SMILES:	O=C(O)CC(N)CCSC
InChi:	InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
Definition date:	2008-11-19
Last modified:	2024-09-27
Identifier:	(3R)-3-amino-5-(methylsulfanyl)pentanoic acid

B3Q

B3Q
Name:	(3S)-3,6-diamino-6-oxohexanoic acid
Formula:	C6 H12 N2 O3
SMILES:	O=C(N)CCC(N)CC(=O)O
InChi:	InChI=1S/C6H12N2O3/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1
Synonyms:	(S)-beta-3-homoglutamine
Definition date:	2008-02-05
Last modified:	2024-09-27
Identifier:	(3S)-3,6-diamino-6-oxohexanoic acid

B3S

B3S
Name:	(3R)-3-AMINO-4-HYDROXYBUTANOIC ACID
Formula:	C4 H9 N O3
SMILES:	O=C(O)CC(N)CO
InChi:	InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	(3R)-3-amino-4-hydroxybutanoic acid

B3T

B3T
Name:	3-amino-2,3,5-trideoxy-D-threo-pentonic acid
Formula:	C5 H11 N O3
SMILES:	O=C(O)CC(N)C(O)C
InChi:	InChI=1S/C5H11NO3/c1-3(7)4(6)2-5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4-/m1/s1
Definition date:	2008-11-10
Last modified:	2024-09-27
Identifier:	3-amino-2,3,5-trideoxy-D-threo-pentonic acid

B3U

B3U
Name:	2-amino-L-histidine
Formula:	C6 H10 N4 O2
SMILES:	O=C(O)C(N)Cc1cnc(N)n1
InChi:	InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
Definition date:	2007-11-07
Last modified:	2024-09-27
Identifier:	2-amino-L-histidine

B3X

B3X
Name:	(3S)-3,5-DIAMINO-5-OXOPENTANOIC ACID
Formula:	C5 H10 N2 O3
SMILES:	O=C(N)CC(N)CC(=O)O
InChi:	InChI=1S/C5H10N2O3/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	(3S)-3,5-diamino-5-oxopentanoic acid

B3Y

B3Y
Name:	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID
Formula:	C10 H13 N O3
SMILES:	O=C(O)CC(N)Cc1ccc(O)cc1
InChi:	InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1
Definition date:	2007-02-28
Last modified:	2024-09-27
Identifier:	(3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid

B4H

B4H
Name:	N-methylidene-3-nitrobenzamide
Formula:	C8 H6 N2 O3
SMILES:	O=[N+](c1cc(ccc1)C(=O)N=C)[O-]
InChi:	InChI=1S/C8H6N2O3/c1-9-8(11)6-3-2-4-7(5-6)10(12)13/h2-5H,1H2
Definition date:	2015-09-30
Last modified:	2024-09-27
Release date:	2016-09-21
Identifier:	N-methylidene-3-nitrobenzamide

B59

B59
Name:	1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde
Formula:	C9 H8 N4 O4
SMILES:	O=C1N(C(=O)N(C=2NC(=O)C(=NC1=2)C=O)C)C
InChi:	InChI=1S/C9H8N4O4/c1-12-6-5(8(16)13(2)9(12)17)10-4(3-14)7(15)11-6/h3H,1-2H3,(H,11,15)
Definition date:	2009-04-24
Last modified:	2024-09-27
Identifier:	1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde

B5I

B5I
Name:	2-propyl-L-norvaline
Formula:	C8 H17 N O2
SMILES:	CCCC(N)(CCC)C(=O)O
InChi:	InChI=1S/C8H17NO2/c1-3-5-8(9,6-4-2)7(10)11/h3-6,9H2,1-2H3,(H,10,11)
Definition date:	2022-09-21
Last modified:	2024-09-27
Release date:	2024-09-04
Identifier:	2-propyl-L-norvaline

B6D

B6D
Name:	2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose
Formula:	C10 H18 N2 O5
SMILES:	O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C
InChi:	InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1
Synonyms:	2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose
Definition date:	2008-05-01
Last modified:	2024-09-27
Identifier:	2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose

B6Y

B6Y
Name:	(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C26 H46 N4 O10 S
SMILES:	C(=O)(NC(C(=O)NC(CC1CCNC1=O)C(S(=O)(=O)O)O)CC(C)C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC
InChi:	InChI=1S/C26H46N4O10S/c1-7-26(9-12-30(13-10-26)24(35)40-25(4,5)6)39-23(34)29-18(14-16(2)3)21(32)28-19(22(33)41(36,37)38)15-17-8-11-27-20(17)31/h16-19,22,33H,7-15H2,1-6H3,(H,27,31)(H,28,32)(H,29,34)(H,36,37,38)/t17-,18-,19-,22+/m0/s1
Synonyms:	bound form
Definition date:	2017-08-02
Last modified:	2024-09-27
Release date:	2018-04-04
Identifier:	(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

B77

B77
Name:	2-[(2-methoxy-5-methylphenoxy)methyl]pyridine
Formula:	C14 H15 N O2
SMILES:	O(c1cc(ccc1OC)C)Cc2ncccc2
InChi:	InChI=1S/C14H15NO2/c1-11-6-7-13(16-2)14(9-11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3
Definition date:	2009-07-21
Last modified:	2024-09-27
Identifier:	2-[(2-methoxy-5-methylphenoxy)methyl]pyridine

B78

B78
Name:	4-[(5-methoxy-2-methylphenoxy)methyl]pyridine
Formula:	C14 H15 N O2
SMILES:	O(c1cc(OC)ccc1C)Cc2ccncc2
InChi:	InChI=1S/C14H15NO2/c1-11-3-4-13(16-2)9-14(11)17-10-12-5-7-15-8-6-12/h3-9H,10H2,1-2H3
Definition date:	2009-07-21
Last modified:	2024-09-27
Identifier:	4-[(5-methoxy-2-methylphenoxy)methyl]pyridine

B7X

B7X
Name:	(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)
Formula:	C26 H40 N7 O20 P3 S
SMILES:	c1nc(c2c(n1)n(cn2)C3C(O)C(C(COP(=O)(O)OP(OCC(C(O)C(=O)NCCC(NCCSC(CC(=O)CC(O)=O)=O)=O)(C)C)(=O)O)O3)OP(O)(O)=O)N
InChi:	InChI=1S/C26H40N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-12,14,19-21,25,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t14-,19-,20-,21+,25-/m1/s1
Definition date:	2019-01-21
Last modified:	2024-09-27
Release date:	2019-09-11
Identifier:	(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)

B7Y

B7Y
Name:	methyl (2S)-2-[[3-(4-chloranylbutanoyl)phenyl]carbonylamino]-3-methyl-butanoate
Formula:	C17 H22 Cl N O4
SMILES:	COC(=O)[CH](NC(=O)c1cccc(c1)C(=O)CCCCl)C(C)C
InChi:	InChI=1S/C17H22ClNO4/c1-11(2)15(17(22)23-3)19-16(21)13-7-4-6-12(10-13)14(20)8-5-9-18/h4,6-7,10-11,15H,5,8-9H2,1-3H3,(H,19,21)/t15-/m0/s1
Definition date:	2023-05-17
Last modified:	2024-09-27
Release date:	2024-05-15
Identifier:	methyl (2~{S})-2-[[3-(4-chloranylbutanoyl)phenyl]carbonylamino]-3-methyl-butanoate

B7Z

B7Z
Name:	8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
Formula:	C19 H23 N7 O2
SMILES:	CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3nccc4C(=O)NC=Nc34
InChi:	InChI=1S/C19H23N7O2/c1-2-16(27)25-9-7-24(8-10-25)6-4-14-11-23-26(12-14)18-17-15(3-5-20-18)19(28)22-13-21-17/h3,5,11-13H,2,4,6-10H2,1H3,(H,21,22,28)
Definition date:	2017-09-20
Last modified:	2024-09-27
Release date:	2018-05-02
Identifier:	8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one

B8R

B8R
Name:	(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid
Formula:	C13 H27 N3 O3
SMILES:	C(C(CCCCCCCC(N)C(=O)N(C)C)N)(=O)O
InChi:	InChI=1S/C13H27N3O3/c1-16(2)12(17)10(14)8-6-4-3-5-7-9-11(15)13(18)19/h10-11H,3-9,14-15H2,1-2H3,(H,18,19)/t10-,11+/m1/s1
Definition date:	2019-01-22
Last modified:	2024-09-27
Release date:	2019-02-13
Identifier:	(2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid

B8Z

B8Z
Name:	~{N}-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide
Formula:	C20 H16 F N3 O4 S2
SMILES:	COc1cc2sc(NC(=O)c3csc(COc4ccc(F)cc4)n3)nc2cc1OC
InChi:	InChI=1S/C20H16FN3O4S2/c1-26-15-7-13-17(8-16(15)27-2)30-20(23-13)24-19(25)14-10-29-18(22-14)9-28-12-5-3-11(21)4-6-12/h3-8,10H,9H2,1-2H3,(H,23,24,25)
Definition date:	2022-03-26
Last modified:	2024-09-27
Release date:	2023-03-22
Identifier:	~{N}-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide

<212 213 214 215 216 217 218219220 221 222 223 224 225 226 227 >

243083

数据于2025-10-15公开中

PDB statistics

PDBj update info

Contact PDBj

numon