Chemie Search results for query - Protein Data Bank Japan

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: 373 results BIRD

CYQ

CYQ
Name:	2-AMINO-3-PHOSPHONOMETHYLSULFANYL-PROPIONIC ACID
Formula:	C4 H10 N O5 P S
SMILES:	O=P(O)(O)CSCC(N)C(=O)O
InChi:	InChI=1S/C4H10NO5PS/c5-3(4(6)7)1-12-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
Synonyms:	S-METHYL PHOSPHOCYSTEINE
Definition date:	1999-10-04
Last modified:	2024-09-27
Identifier:	S-(phosphonomethyl)-L-cysteine

CYR

CYR
Name:	N~5~-[{[(2R)-2-AMINO-2-CARBOXYETHYL]SULFANYL}(IMINIO)METHYL]-L-ORNITHINATE
Formula:	C9 H19 N4 O4 S
SMILES:	O=C(O)C(N)CCCNC(SCC(N)C(=O)O)=[NH2+]
InChi:	InChI=1S/C9H18N4O4S/c10-5(7(14)15)2-1-3-13-9(12)18-4-6(11)8(16)17/h5-6H,1-4,10-11H2,(H2,12,13)(H,14,15)(H,16,17)/p+1/t5-,6-/m0/s1
Synonyms:	L-CYSTEIN-S-1-(IMINOMETHYL)-L-ORNITHINE
Definition date:	2005-08-04
Last modified:	2024-09-27
Identifier:	{[(4S)-4-amino-4-carboxybutyl]amino}{[(2R)-2-amino-2-carboxyethyl]sulfanyl}methaniminium

CYS

CYS
Name:	CYSTEINE
Formula:	C3 H7 N O2 S
SMILES:	O=C(O)C(N)CS
InChi:	InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	L-cysteine

CYW

CYW
Name:	S-[(2R)-2-hydroxypropanoyl]-L-cysteine
Formula:	C6 H11 N O4 S
SMILES:	O=C(SCC(C(=O)O)N)C(O)C
InChi:	InChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h3-4,8H,2,7H2,1H3,(H,9,10)/t3-,4+/m1/s1
Synonyms:	lactoylglutathione
Definition date:	2011-02-16
Last modified:	2024-09-27
Identifier:	S-[(2R)-2-hydroxypropanoyl]-L-cysteine

CZ2

CZ2
Name:	S-(DIHYDROXYARSINO)CYSTEINE
Formula:	C3 H8 As N O4 S
SMILES:	O=C(O)C(N)CS[As](O)O
InChi:	InChI=1S/C3H8AsNO4S/c5-2(3(6)7)1-10-4(8)9/h2,8-9H,1,5H2,(H,6,7)/t2-/m0/s1
Synonyms:	THIARSA DIHYDROXY CYSTEINE
Definition date:	2004-03-26
Last modified:	2024-09-27
Identifier:	S-(dihydroxyarsanyl)-L-cysteine

MOX

MOX
Name:	(2R)-2-[(1R)-1-{[(2S)-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-/m0/s1
Synonyms:	MOXALACTAM DERIVATIVE (open form)
Definition date:	2000-08-11
Last modified:	2024-09-27
Identifier:	(2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid

CZZ

CZZ
Name:	THIARSAHYDROXY-CYSTEINE
Formula:	C3 H7 As N O3 S
SMILES:	O=C(O)C(N)CS[AsH]O
InChi:	InChI=1S/C3H8AsNO3S/c5-2(3(6)7)1-9-4-8/h2,4,8H,1,5H2,(H,6,7)/t2-/m0/s1
Definition date:	2001-06-14
Last modified:	2024-09-27
Identifier:	S-(hydroxyarsanyl)-L-cysteine

SWW

SWW
Name:	(2~{S})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid
Formula:	C5 H11 N O3 S
SMILES:	N[CH](CSCCO)C(O)=O
InChi:	InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m1/s1
Synonyms:	S-(2-hydroxyethyl)-D-cysteine
Definition date:	2020-12-02
Last modified:	2024-09-27
Release date:	2022-01-12
Identifier:	(2~{S})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid

SYS

SYS
Name:	3-[(2-amino-2-oxoethyl)selanyl]-L-alanine
Formula:	C5 H10 N2 O3 Se
SMILES:	O=C(O)C(N)C[Se]CC(=O)N
InChi:	InChI=1S/C5H10N2O3Se/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
Synonyms:	L-(Se-carboxamidomethyl)selenocysteine
Definition date:	2008-09-17
Last modified:	2024-09-27
Identifier:	3-[(2-amino-2-oxoethyl)selanyl]-L-alanine

DAC

DAC
Name:	2-DECENOYL N-ACETYL CYSTEAMINE
Formula:	C14 H25 N O2 S
SMILES:	O=C(SCCNC(=O)C)C=C/CCCCCCC
InChi:	InChI=1S/C14H25NO2S/c1-3-4-5-6-7-8-9-10-14(17)18-12-11-15-13(2)16/h9-10H,3-8,11-12H2,1-2H3,(H,15,16)/b10-9-
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	S-[2-(acetylamino)ethyl] (2Z)-dec-2-enethioate

T8L

T8L
Name:	Thio-phosohothreonine
Formula:	C4 H10 N O5 P S
SMILES:	C[CH](O[P](O)(S)=O)[CH](N)C(O)=O
InChi:	InChI=1S/C4H10NO5PS/c1-2(3(5)4(6)7)10-11(8,9)12/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,12)/t2-,3+/m1/s1
Definition date:	2017-12-22
Last modified:	2024-09-27
Release date:	2018-01-03
Identifier:	(2~{S},3~{R})-2-azanyl-3-[oxidanyl(sulfanyl)phosphoryl]oxy-butanoic acid

XCN

XCN
Name:	S-cyano-L-cysteine
Formula:	C4 H6 N2 O2 S
SMILES:	O=C(O)C(N)CSC#N
InChi:	InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
Definition date:	2010-09-21
Last modified:	2024-09-27
Identifier:	S-cyano-L-cysteine

AW4

AW4
Name:	(1S,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
Synonyms:	bound form
Definition date:	2017-07-28
Last modified:	2024-09-27
Release date:	2018-04-04
Identifier:	(1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

AX9

AX9
Name:	DiCys-(15,16)-Dihydrobiliverdin
Formula:	C33 H40 N4 O6
SMILES:	O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1/C=C1N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(=O)O
InChi:	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h14-15,26,35H,7-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,28-15-/t26-/m1/s1
Synonyms:	15,16-DIHYDROBILIVERDIN (double Cys bound form)
Definition date:	2021-11-11
Last modified:	2024-09-27
Release date:	2023-02-15
Identifier:	3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid

DYS

DYS
Name:	S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine
Formula:	C11 H16 N2 O4 S
SMILES:	O=C(O)C(N)CSc1cc(cc(O)c1O)CCN
InChi:	InChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/t7-/m0/s1
Definition date:	2007-10-08
Last modified:	2024-09-27
Identifier:	S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine

4J4

4J4
Name:	S-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-L-cysteine
Formula:	C18 H18 F2 N2 O3 S
SMILES:	NC(C(=O)O)CSCC(=O)NCc1ccc(cc1)c2c(F)cc(cc2)F
InChi:	InChI=1S/C18H18F2N2O3S/c19-13-5-6-14(15(20)7-13)12-3-1-11(2-4-12)8-22-17(23)10-26-9-16(21)18(24)25/h1-7,16H,8-10,21H2,(H,22,23)(H,24,25)/t16-/m0/s1
Definition date:	2015-09-17
Last modified:	2024-09-27
Release date:	2016-07-27
Identifier:	S-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-L-cysteine

ECX

ECX
Name:	S-ethyl-L-cysteine
Formula:	C5 H11 N O2 S
SMILES:	O=C(O)C(N)CSCC
InChi:	InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Definition date:	2009-09-28
Last modified:	2024-09-27
Identifier:	S-ethyl-L-cysteine

EFC

EFC
Name:	S,S-(2-FLUOROETHYL)THIOCYSTEINE
Formula:	C5 H10 F N O2 S2
SMILES:	FCCSSCC(C(=O)O)N
InChi:	InChI=1S/C5H10FNO2S2/c6-1-2-10-11-3-4(7)5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-[(2-fluoroethyl)disulfanyl]-L-alanine

EJA

EJA
Name:	S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine
Formula:	C6 H10 N2 O5 S
SMILES:	NC(CSC(=N/O)CC(O)=O)C(O)=O
InChi:	InChI=1S/C6H10N2O5S/c7-3(6(11)12)2-14-4(8-13)1-5(9)10/h3,13H,1-2,7H2,(H,9,10)(H,11,12)/b8-4-/t3-/m0/s1
Definition date:	2018-01-12
Last modified:	2024-09-27
Release date:	2018-06-06
Identifier:	S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine

EQS

EQS
Name:	(1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C23 H37 N5 O8 S
SMILES:	O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C#N)C1)C(O)S(=O)(=O)O
InChi:	InChI=1S/C23H37N5O8S/c1-14(2)9-17(27-22(32)36-16-11-23(12-16)4-7-28(13-24)8-5-23)20(30)26-18(21(31)37(33,34)35)10-15-3-6-25-19(15)29/h14-18,21,31H,3-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,32)(H,33,34,35)/t15-,17-,18-,21-/m0/s1
Definition date:	2021-12-10
Last modified:	2024-09-27
Release date:	2021-12-22
Identifier:	(1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

ESC

ESC
Name:	2-AMINO-4-ETHYL SULFANYL BUTYRIC ACID
Formula:	C6 H13 N O2 S
SMILES:	O=C(O)C(N)CCSCC
InChi:	InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
Definition date:	1999-09-27
Last modified:	2024-09-27
Identifier:	S-ethyl-L-homocysteine

SAO

SAO
Name:	5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine
Formula:	C14 H21 N6 O5 S
SMILES:	[NH3+]C(C(O)=O)CCSCC1OC(C(C1O)O)n2cnc3c2ncnc3N
InChi:	InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/p+1/t6-,7+,9+,10+,13+/m0/s1
Synonyms:	S-ADENOSYL-L-HOMOCYSTEINE
Definition date:	2016-04-08
Last modified:	2024-09-18
Release date:	2017-03-15
Identifier:	5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine

SAH

SAH
Name:	S-ADENOSYL-L-HOMOCYSTEINE
Formula:	C14 H20 N6 O5 S
SMILES:	O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-16
Identifier:	(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)

X6I

X6I
Name:	S-{2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethyl}-L-cysteine
Formula:	C13 H20 N3 O7 P S
SMILES:	Oc1c(/C=N/CCSCC(N)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:	InChI=1S/C13H20N3O7PS/c1-8-12(17)10(9(4-16-8)6-23-24(20,21)22)5-15-2-3-25-7-11(14)13(18)19/h4-5,11,17H,2-3,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/b15-5+/t11-/m0/s1
Definition date:	2023-06-02
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	S-{2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethyl}-L-cysteine

TW3

TW3
Name:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbut-2-enethioate
Formula:	C26 H42 N7 O17 P3 S
SMILES:	CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20+,21-,25-/m0/s1
Definition date:	2023-05-09
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbut-2-enethioate

<1 2 3 4 5 678 9 10 11 12 13 14 15 >

238582

PDB entries from 2025-07-09

PDB statistics

PDBj update info

Contact PDBj

numon