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: 36689 results BIRD

32S

32S
Name:	(S)-2-AMINO-3-(4H-SELENOLO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 Se
SMILES:	O=C(O)C(N)Cc2c1[se]ccc1nc2
InChi:	InChI=1S/C9H10N2O2Se/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
Definition date:	2003-12-30
Last modified:	2023-11-03
Identifier:	3-(4H-selenopheno[3,2-b]pyrrol-6-yl)-L-alanine

32T

32T
Name:	(S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 S
SMILES:	O=C(O)C(N)Cc2c1sccc1nc2
InChi:	InChI=1S/C9H10N2O2S/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
Definition date:	2003-12-30
Last modified:	2023-11-03
Identifier:	3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine

MBQ

MBQ
Name:	2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE
Formula:	C20 H22 N2 O6
SMILES:	O=C(O)C(N)Cc2c(O)cc(O)c(NC(=CC=O)COc1ccc(cc1)C)c2
InChi:	InChI=1S/C20H22N2O6/c1-12-2-4-15(5-3-12)28-11-14(6-7-23)22-17-9-13(8-16(21)20(26)27)18(24)10-19(17)25/h2-7,9-10,16,22,24-25H,8,11,21H2,1H3,(H,26,27)/b14-6+/t16-/m0/s1
Definition date:	2004-03-04
Last modified:	2023-11-03
Identifier:	2-hydroxy-5-({(1E)-1-[(4-methylphenoxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine

MDF

MDF
Name:	META, META'-DI-HYDROXY-PHENYLALANINE
Formula:	C9 H11 N O4
SMILES:	O=C(OC)C(c1cc(O)cc(O)c1)N
InChi:	InChI=1S/C9H11NO4/c1-14-9(13)8(10)5-2-6(11)4-7(12)3-5/h2-4,8,11-12H,10H2,1H3/t8-/m0/s1
Definition date:	2002-09-02
Last modified:	2023-11-03
Identifier:	methyl (2S)-amino(3,5-dihydroxyphenyl)ethanoate

MDO

MDO
Name:	{2-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C8 H11 N3 O3
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C)=C
InChi:	InChI=1S/C8H11N3O3/c1-4(9)7-10-5(2)8(14)11(7)3-6(12)13/h4H,2-3,9H2,1H3,(H,12,13)/t4-/m0/s1
Synonyms:	4-METHYLIDENE-5-ONE
Definition date:	2001-08-15
Last modified:	2023-11-03
Identifier:	{2-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

1OL

1OL
Name:	(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
Formula:	C10 H21 N O3
SMILES:	O=C(O)C(C)CC(O)C(N)CC(C)C
InChi:	InChI=1S/C10H21NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-9,12H,4-5,11H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1
Synonyms:	Leu*Ala
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid

1OP

1OP
Name:	O-(5-hydroxypentyl)-L-tyrosine
Formula:	C14 H21 N O4
SMILES:	O=C(O)C(N)Cc1ccc(OCCCCCO)cc1
InChi:	InChI=1S/C14H21NO4/c15-13(14(17)18)10-11-4-6-12(7-5-11)19-9-3-1-2-8-16/h4-7,13,16H,1-3,8-10,15H2,(H,17,18)/t13-/m0/s1
Definition date:	2013-04-11
Last modified:	2023-11-03
Release date:	2013-06-12
Identifier:	O-(5-hydroxypentyl)-L-tyrosine

1PA

1PA
Name:	4-(carboxymethyl)-L-phenylalanine
Formula:	C11 H13 N O4
SMILES:	O=C(O)C(N)Cc1ccc(cc1)CC(=O)O
InChi:	InChI=1S/C11H13NO4/c12-9(11(15)16)5-7-1-3-8(4-2-7)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
Synonyms:	p-(carboxymethyl)phenylalanine
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-(carboxymethyl)-L-phenylalanine

MF0

MF0
Name:	(2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C14 H14 Cl N3 O
SMILES:	O=C(Nc1cnccc1C)C(C)c1cc(Cl)cnc1
InChi:	InChI=1S/C14H14ClN3O/c1-9-3-4-16-8-13(9)18-14(19)10(2)11-5-12(15)7-17-6-11/h3-8,10H,1-2H3,(H,18,19)/t10-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide

MFC

MFC
Name:	5-[1-(3-FLUORO-4-HYDROXY-PHENYL)-METH-(Z)-YLIDENE]-3,5-DIHYDRO-IMIDAZOL-4-ONE
Formula:	C15 H16 F N3 O5
SMILES:	Fc1c(O)ccc(c1)C=C2/N=C(N(C2=O)CC(=O)O)C(N)C(O)C
InChi:	InChI=1S/C15H16FN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
Definition date:	2004-01-05
Last modified:	2023-11-03
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

MFD

MFD
Name:	(2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC ACID
Formula:	C20 H29 N O3
SMILES:	O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C
InChi:	InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16+,18+,19-/m1/s1
Definition date:	1999-08-05
Last modified:	2023-11-03
Identifier:	(2S,3S,4E,6E,8R,9R)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid

MFH

MFH
Name:	[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid
Formula:	C10 H14 N2 O3
SMILES:	N[CH](CNC(O)=O)Cc1ccc(O)cc1
InChi:	InChI=1S/C10H14N2O3/c11-8(6-12-10(14)15)5-7-1-3-9(13)4-2-7/h1-4,8,12-13H,5-6,11H2,(H,14,15)/t8-/m0/s1
Definition date:	2019-10-12
Last modified:	2023-11-03
Release date:	2021-02-17
Identifier:	[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid

1QI

1QI
Name:	(2R,4S,5S)-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid
Formula:	C15 H23 N O3
SMILES:	CC(C)[CH](N)[CH](O)C[CH](Cc1ccccc1)C(O)=O
InChi:	InChI=1S/C15H23NO3/c1-10(2)14(16)13(17)9-12(15(18)19)8-11-6-4-3-5-7-11/h3-7,10,12-14,17H,8-9,16H2,1-2H3,(H,18,19)/t12-,13+,14+/m1/s1
Definition date:	2021-06-14
Last modified:	2023-11-03
Release date:	2021-08-11
Identifier:	(2~{R},4~{S},5~{S})-5-azanyl-6-methyl-4-oxidanyl-2-(phenylmethyl)heptanoic acid

MFV

MFV
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C16 H19 N3 O5
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(C)c(cc2)O
InChi:	InChI=1S/C16H19N3O5/c1-8-5-10(3-4-12(8)21)6-11-16(24)19(7-13(22)23)15(18-11)14(17)9(2)20/h3-6,9,14,20-21H,7,17H2,1-2H3,(H,22,23)/b11-6-/t9-,14+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2019-04-02
Last modified:	2023-11-03
Release date:	2019-07-10
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

MGG

MGG
Name:	2-(2-CARBOXY-ACETYLAMINO)-5-GUANIDINO-PENTANOIC ACID
Formula:	C9 H17 N4 O5
SMILES:	O=C(NC(C(=O)O)CCCNC(=[NH2+])N)CC(=O)O
InChi:	InChI=1S/C9H16N4O5/c10-9(11)12-3-1-2-5(8(17)18)13-6(14)4-7(15)16/h5H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H4,10,11,12)/p+1/t5-/m1/s1
Synonyms:	D-ARGININE WITH 3-OXO-PROPIONIC ACID MODIFICATION
Definition date:	1999-08-25
Last modified:	2023-11-03
Identifier:	amino({(4R)-4-carboxy-4-[(carboxyacetyl)amino]butyl}amino)methaniminium

MHU

MHU
Name:	4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE
Formula:	C12 H18 N2 O2
SMILES:	O=C(O)C(NC)Cc1ccc(N(C)C)cc1
InChi:	InChI=1S/C12H18N2O2/c1-13-11(12(15)16)8-9-4-6-10(7-5-9)14(2)3/h4-7,11,13H,8H2,1-3H3,(H,15,16)/t11-/m0/s1
Definition date:	2010-07-15
Last modified:	2023-11-03
Identifier:	4-(dimethylamino)-N-methyl-L-phenylalanine

MHY

MHY
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H15 F2 N3 O5
SMILES:	NC(C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2)F)O)C(O)C
InChi:	InChI=1S/C15H15F2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6,12,21,24H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1
Definition date:	2019-04-02
Last modified:	2023-11-03
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

1TQ

1TQ
Name:	6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN
Formula:	C12 H13 N3 O4
SMILES:	O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)NC=O
InChi:	InChI=1S/C12H13N3O4/c13-8(12(18)19)3-6-4-14-10-7(6)1-2-9(11(10)17)15-5-16/h1-2,4-5,8,14,17H,3,13H2,(H,15,16)(H,18,19)/t8-/m0/s1
Definition date:	2006-08-22
Last modified:	2023-11-03
Identifier:	6-(formylamino)-7-hydroxy-L-tryptophan

MJ1

MJ1
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H15 F2 N3 O5
SMILES:	C1(=NC(C(N1CC(O)=O)=O)=[C@H]c2c(c(F)c(cc2)O)F)C(C(O)C)N
InChi:	InChI=1S/C15H15F2N3O5/c1-6(21)13(18)14-19-8(15(25)20(14)5-10(23)24)4-7-2-3-9(22)12(17)11(7)16/h2-4,6,13,21-22H,5,18H2,1H3,(H,23,24)/b8-4-/t6-,13+/m1/s1
Definition date:	2019-04-02
Last modified:	2023-11-03
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

1TY

1TY
Name:	3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-1,4-DIEN-1-YL}ALANINE
Formula:	C17 H18 N2 O4
SMILES:	O=C2C=C(O)/C(=N/CCc1ccccc1)C=C2CC(C(=O)O)N
InChi:	InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,13,21H,6-8,18H2,(H,22,23)/b19-14+/t13-/m0/s1
Definition date:	2005-07-07
Last modified:	2023-11-03
Identifier:	3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine

1U8

1U8
Name:	(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
Formula:	C14 H17 N O5
SMILES:	O=C(O)CC(N)C(=O)COC(=O)c1c(cccc1C)C
InChi:	InChI=1S/C14H17NO5/c1-8-4-3-5-9(2)13(8)14(19)20-7-11(16)10(15)6-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,17,18)/t10-/m0/s1
Definition date:	2013-03-28
Last modified:	2023-11-03
Release date:	2013-06-12
Identifier:	(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid

MJR

MJR
Name:	2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide
Formula:	C12 H12 Cl N3 O
SMILES:	O=C(Nc1c[NH]nc1C)Cc1cccc(Cl)c1
InChi:	InChI=1S/C12H12ClN3O/c1-8-11(7-14-16-8)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)(H,15,17)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide

MKI

MKI
Name:	2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide
Formula:	C15 H15 Cl N2 O
SMILES:	Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1
InChi:	InChI=1S/C15H15ClN2O/c1-11-6-7-17-10-14(11)18(2)15(19)9-12-4-3-5-13(16)8-12/h3-8,10H,9H2,1-2H3
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide

1WI

1WI
Name:	1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione
Formula:	C25 H27 F N4 O4
SMILES:	CCC(CC)N1CCN(CC1=O)C(=O)c2cc(CN3C(=O)NC(=O)c4ccccc34)ccc2F
InChi:	InChI=1S/C25H27FN4O4/c1-3-17(4-2)29-12-11-28(15-22(29)31)24(33)19-13-16(9-10-20(19)26)14-30-21-8-6-5-7-18(21)23(32)27-25(30)34/h5-10,13,17H,3-4,11-12,14-15H2,1-2H3,(H,27,32,34)
Definition date:	2022-11-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione

MN2

MN2
Name:	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE
Formula:	C11 H17 N2 O2
SMILES:	O=C(O)CCNCc1ccc(cc1)C[NH3+]
InChi:	InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(4-{[(2-carboxyethyl)amino]methyl}phenyl)methanaminium

<81 82 83 84 85 86 878889 90 91 92 93 94 95 96 >

224931

PDB entries from 2024-09-11

PDB statistics

PDBj update info

Contact PDBj

numon