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: 43884 results BIRD

7QK

7QK
Name:	N~6~-acetyl-N~6~-methyl-L-lysine
Formula:	C9 H18 N2 O3
SMILES:	NC(CCCCN(C)C(C)=O)C(=O)O
InChi:	InChI=1S/C9H18N2O3/c1-7(12)11(2)6-4-3-5-8(10)9(13)14/h8H,3-6,10H2,1-2H3,(H,13,14)/t8-/m0/s1
Definition date:	2021-08-17
Last modified:	2024-09-27
Release date:	2023-07-26
Identifier:	N~6~-acetyl-N~6~-methyl-L-lysine

7QP

7QP
Name:	(1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid
Formula:	C16 H25 N2 O7 P
SMILES:	Oc1c(CNC2CC(CCC2C)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:	InChI=1S/C16H25N2O7P/c1-9-3-4-11(16(20)21)5-14(9)18-7-13-12(8-25-26(22,23)24)6-17-10(2)15(13)19/h6,9,11,14,18-19H,3-5,7-8H2,1-2H3,(H,20,21)(H2,22,23,24)/t9-,11-,14+/m1/s1
Definition date:	2021-08-17
Last modified:	2024-09-27
Release date:	2021-08-25
Identifier:	(1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid

SLZ

SLZ
Name:	L-THIALYSINE
Formula:	C5 H12 N2 O2 S
SMILES:	O=C(O)C(N)CSCCN
InChi:	InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	S-(2-aminoethyl)-L-cysteine

SM2

SM2
Name:	(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID
Formula:	C14 H14 B N O5 S
SMILES:	O=C(NC(B(O)O)c1cc(C(=O)O)ccc1)Cc2sccc2
InChi:	InChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1
Definition date:	2002-10-23
Last modified:	2024-09-27
Identifier:	3-{(R)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}benzoic acid

SM3

SM3
Name:	(1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID
Formula:	C13 H14 B N O3 S
SMILES:	O=C(NC(B(O)O)c1ccccc1)Cc2sccc2
InChi:	InChI=1S/C13H14BNO3S/c16-12(9-11-7-4-8-19-11)15-13(14(17)18)10-5-2-1-3-6-10/h1-8,13,17-18H,9H2,(H,15,16)/t13-/m0/s1
Definition date:	2002-10-23
Last modified:	2024-09-27
Identifier:	{(R)-phenyl[(thiophen-2-ylacetyl)amino]methyl}boronic acid

SM4

SM4
Name:	(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
Formula:	C16 H16 B N O5 S
SMILES:	O=C(NC(B(O)O)c1cccc(C=CC(=O)O)c1)Cc2sccc2
InChi:	InChI=1S/C16H16BNO5S/c19-14(10-13-5-2-8-24-13)18-16(17(22)23)12-4-1-3-11(9-12)6-7-15(20)21/h1-9,16,22-23H,10H2,(H,18,19)(H,20,21)/b7-6+/t16-/m0/s1
Synonyms:	(2E)-3-(3-{(R)-(DIHYDROXYBORYL)[(2-THIENYLACETYL)AMINO]METHYL}PHENYL)ACRYLIC ACID
Definition date:	2006-09-06
Last modified:	2024-09-27
Identifier:	(2E)-3-(3-{(R)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}phenyl)prop-2-enoic acid

7R0

7R0
Name:	2-[(4E)-2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C17 H17 N5 O4
SMILES:	N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O
InChi:	InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5+/t13-/m0/s1
Synonyms:	CHROMOPHORE (HIS-TYR-GLY)
Definition date:	2021-08-21
Last modified:	2024-09-27
Release date:	2021-09-01
Identifier:	2-[(4~{E})-2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

SMC

SMC
Name:	S-METHYLCYSTEINE
Formula:	C4 H9 N O2 S
SMILES:	O=C(O)C(N)CSC
InChi:	InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	S-methyl-L-cysteine

7R6

7R6
Name:	2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C17 H14 N4 O4
SMILES:	OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3
InChi:	InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7+
Synonyms:	RED CHROMOPHORE (HIS, TYR, GLY)
Definition date:	2021-08-21
Last modified:	2024-09-27
Release date:	2021-09-01
Identifier:	2-[(4~{E})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

SME

SME
Name:	METHIONINE SULFOXIDE
Formula:	C5 H11 N O3 S
SMILES:	O=C(O)C(N)CCS(=O)C
InChi:	InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-[(R)-methylsulfinyl]butanoic acid

SMF

SMF
Name:	4-SULFOMETHYL-L-PHENYLALANINE
Formula:	C10 H13 N O5 S
SMILES:	O=S(=O)(O)Cc1ccc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C10H13NO5S/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H,14,15,16)/t9-/m0/s1
Definition date:	2003-03-18
Last modified:	2024-09-27
Identifier:	4-(sulfomethyl)-L-phenylalanine

SMM

SMM
Name:	S-ADENOSYLMETHIONINE METHYL ESTER
Formula:	C16 H26 N6 O5 S
SMILES:	O=C(OC)C(N)CCS(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C16H26N6O5S/c1-26-16(25)8(17)3-4-28(2)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24,28H,3-5,17H2,1-2H3,(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2001-03-13
Last modified:	2024-09-27
Identifier:	5'-[(S)-[(3S)-3-amino-4-methoxy-4-oxobutyl](methyl)-lambda~4~-sulfanyl]-5'-deoxyadenosine

SMZ

SMZ
Name:	N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine
Formula:	C7 H15 N3 O2 S
SMILES:	O=C(O)C(N)CCCNC(=[N@H])SC
InChi:	InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1
Synonyms:	S-methyl-L-thiocitrulline
Definition date:	2008-01-15
Last modified:	2024-09-27
Identifier:	N~5~-[(Z)-imino(methylsulfanyl)methyl]-L-ornithine

SNC

SNC
Name:	S-NITROSO-CYSTEINE
Formula:	C3 H6 N2 O3 S
SMILES:	O=C(O)C(N)CSN=O
InChi:	InChI=1S/C3H6N2O3S/c4-2(3(6)7)1-9-5-8/h2H,1,4H2,(H,6,7)/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	S-nitroso-L-cysteine

SNK

SNK
Name:	(2~{R})-2-azanyl-3-(4-ethanoylsulfanyl-1~{H}-imidazol-5-yl)propanoic acid
Formula:	C8 H11 N3 O3 S
SMILES:	CC(=O)Sc1nc[nH]c1C[CH](N)C(O)=O
InChi:	InChI=1S/C8H11N3O3S/c1-4(12)15-7-6(10-3-11-7)2-5(9)8(13)14/h3,5H,2,9H2,1H3,(H,10,11)(H,13,14)/t5-/m1/s1
Definition date:	2020-11-25
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	(2~{R})-2-azanyl-3-(4-ethanoylsulfanyl-1~{H}-imidazol-5-yl)propanoic acid

7SF

7SF
Name:	4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid
Formula:	C7 H4 Cl F3 O3 S
SMILES:	O[S](=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
InChi:	InChI=1S/C7H4ClF3O3S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H,(H,12,13,14)
Definition date:	2022-02-28
Last modified:	2024-09-27
Release date:	2022-10-05
Identifier:	4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid

SNM

SNM
Name:	N,N-dimethyl-L-serine
Formula:	C5 H11 N O3
SMILES:	CN(C)[CH](CO)C(O)=O
InChi:	InChI=1S/C5H11NO3/c1-6(2)4(3-7)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
Definition date:	2017-12-12
Last modified:	2024-09-27
Release date:	2018-05-30
Identifier:	(2~{S})-2-(dimethylamino)-3-oxidanyl-propanoic acid

SNN

SNN
Name:	L-3-AMINOSUCCINIMIDE
Formula:	C4 H6 N2 O2
SMILES:	O=C1NC(=O)C(N)C1
InChi:	InChI=1S/C4H6N2O2/c5-2-1-3(7)6-4(2)8/h2H,1,5H2,(H,6,7,8)/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S)-3-aminopyrrolidine-2,5-dione

SO0

SO0
Name:	(1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide
Formula:	C23 H29 Cl2 N3 O5
SMILES:	O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)COc1ccc(Cl)cc1Cl
InChi:	InChI=1S/C23H29Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,13-14,16-17,21,29H,1-3,6-8,10-12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17-,21-/m0/s1
Definition date:	2023-08-28
Last modified:	2024-09-27
Release date:	2024-08-28
Identifier:	(1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide

SO2

SO2
Name:	SULFUR DIOXIDE
Formula:	O2 S
SMILES:	O=S=O
InChi:	InChI=1S/O2S/c1-3-2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	oxosulfane oxide

SO3

SO3
Name:	SULFITE ION
Formula:	O3 S
SMILES:	[O-]S([O-])=O
InChi:	InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	sulfite

SOA

SOA
Name:	ISATOIC ANHYDRIDE
Formula:	C7 H9 N O
SMILES:	OCc1ccccc1N
InChi:	InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2-aminophenyl)methanol

7TC

7TC
Name:	(2R,3S)-3-methyl-4-methylidene-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid
Formula:	C11 H15 N O4
SMILES:	C[CH](O)[CH](C=O)[CH]1N=C(C(O)=O)C(=C)[CH]1C
InChi:	InChI=1S/C11H15NO4/c1-5-6(2)10(11(15)16)12-9(5)8(4-13)7(3)14/h4-5,7-9,14H,2H2,1,3H3,(H,15,16)/t5-,7+,8+,9+/m0/s1
Definition date:	2021-10-22
Last modified:	2024-09-27
Release date:	2022-10-26
Identifier:	(2~{R},3~{S})-3-methyl-4-methylidene-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid

SOO

SOO
Name:	S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (E)-oct-2-enethioate
Formula:	C19 H35 N2 O8 P S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)/C=C/CCCCC
InChi:	InChI=1S/C19H35N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h8-9,17,24H,4-7,10-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/b9-8+/t17-/m1/s1
Definition date:	2009-10-15
Last modified:	2024-09-27
Identifier:	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (2E)-oct-2-enethioate

7TK

7TK
Name:	(3S)-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid
Formula:	C8 H14 N2 O3
SMILES:	N[CH](CC(O)=O)C(=O)N1CCCC1
InChi:	InChI=1S/C8H14N2O3/c9-6(5-7(11)12)8(13)10-3-1-2-4-10/h6H,1-5,9H2,(H,11,12)/t6-/m0/s1
Definition date:	2021-10-25
Last modified:	2024-09-27
Release date:	2023-07-26
Identifier:	(3~{S})-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid

<125 126 127 128 129 130 131132133 134 135 136 137 138 139 140 >

238582

PDB entries from 2025-07-09

PDB statistics

PDBj update info

Contact PDBj

numon