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: 35418 results BIRD

M50

M50
Name:	2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide
Formula:	C13 H12 Cl N3 O
SMILES:	Cc1cnncc1NC(=O)Cc1cccc(Cl)c1
InChi:	InChI=1S/C13H12ClN3O/c1-9-7-15-16-8-12(9)17-13(18)6-10-3-2-4-11(14)5-10/h2-5,7-8H,6H2,1H3,(H,15,17,18)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide

5DW

5DW
Name:	4-ethynyl-L-phenylalanine
Formula:	C11 H11 N O2
SMILES:	C(c1ccc(CC(N)C(=O)O)cc1)#C
InChi:	InChI=1S/C11H11NO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h1,3-6,10H,7,12H2,(H,13,14)/t10-/m0/s1
Definition date:	2015-09-14
Last modified:	2023-11-03
Release date:	2016-02-03
Identifier:	4-ethynyl-L-phenylalanine

M5I

M5I
Name:	N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H13 Cl N2 O
SMILES:	O=C(Cc1cnccc1C)Nc1cccc(Cl)c1
InChi:	InChI=1S/C14H13ClN2O/c1-10-5-6-16-9-11(10)7-14(18)17-13-4-2-3-12(15)8-13/h2-6,8-9H,7H2,1H3,(H,17,18)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide

M5X

M5X
Name:	(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
Formula:	C8 H8 N2 O4 S
SMILES:	NS(=O)(=O)c1cc2c(cc1)NC(=O)C2O
InChi:	InChI=1S/C8H8N2O4S/c9-15(13,14)4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)(H2,9,13,14)/t7-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide

M6I

M6I
Name:	N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea
Formula:	C12 H10 Cl N3 O
SMILES:	O=C(Nc1cccnc1)Nc1cccc(Cl)c1
InChi:	InChI=1S/C12H10ClN3O/c13-9-3-1-4-10(7-9)15-12(17)16-11-5-2-6-14-8-11/h1-8H,(H2,15,16,17)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea

M6U

M6U
Name:	N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide
Formula:	C15 H14 F3 N3 O
SMILES:	FC(F)(F)c1cccc(CC(=O)Nc2cnccc2CC)n1
InChi:	InChI=1S/C15H14F3N3O/c1-2-10-6-7-19-9-12(10)21-14(22)8-11-4-3-5-13(20-11)15(16,17)18/h3-7,9H,2,8H2,1H3,(H,21,22)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide

5GG

5GG
Name:	Deoxyhypusine
Formula:	C10 H23 N3 O2
SMILES:	NC(C(=O)O)CCCCNCCCCN
InChi:	InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/t9-/m0/s1
Definition date:	2015-09-23
Last modified:	2023-11-03
Release date:	2016-01-20
Identifier:	N~6~-(4-aminobutyl)-L-lysine

M7X

M7X
Name:	2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide
Formula:	C14 H13 Cl N2 O
SMILES:	O=C(Nc1cc(C)cnc1)Cc1cccc(Cl)c1
InChi:	InChI=1S/C14H13ClN2O/c1-10-5-13(9-16-8-10)17-14(18)7-11-3-2-4-12(15)6-11/h2-6,8-9H,7H2,1H3,(H,17,18)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide

5GM

5GM
Name:	(4S)-2,4-dimethyl-L-norleucine
Formula:	C8 H17 N O2
SMILES:	NC(C(=O)O)(CC(C)CC)C
InChi:	InChI=1S/C8H17NO2/c1-4-6(2)5-8(3,9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-,8-/m0/s1
Definition date:	2015-09-24
Last modified:	2023-11-03
Release date:	2016-07-20
Identifier:	(4S)-2,4-dimethyl-L-norleucine

M93

M93
Name:	(4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C16 H15 Cl N2 O3
SMILES:	OCc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C16H15ClN2O3/c17-11-1-2-15-13(7-11)12(4-6-22-15)16(21)19-14-8-18-5-3-10(14)9-20/h1-3,5,7-8,12,20H,4,6,9H2,(H,19,21)/t12-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide

M9U

M9U
Name:	(4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C15 H15 Cl N4 O2
SMILES:	Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1
InChi:	InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

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

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

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

NA8

NA8
Name:	(1S)-1-CARBOXY-2-NAPHTHALEN-2-YLETHANAMINIUM
Formula:	C13 H14 N O2
SMILES:	O=C(O)C([NH3+])Cc2ccc1c(cccc1)c2
InChi:	InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/p+1/t12-/m0/s1
Definition date:	2009-10-22
Last modified:	2023-11-03
Identifier:	(1S)-1-carboxy-2-naphthalen-2-ylethanaminium

NAL

NAL
Name:	BETA-(2-NAPHTHYL)-ALANINE
Formula:	C13 H13 N O2
SMILES:	O=C(O)C(N)Cc2ccc1c(cccc1)c2
InChi:	InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name)

NB0

NB0
Name:	4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one
Formula:	C20 H18 F N3 O2
SMILES:	O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1F
InChi:	InChI=1S/C20H18FN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)15-13-19(25)22-17-7-3-1-5-14(15)17/h1-8,13H,9-12H2,(H,22,25)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one

NB6

NB6
Name:	2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H13 Br N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cccc(Br)c1
InChi:	InChI=1S/C14H13BrN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide

NBQ

NBQ
Name:	2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE
Formula:	C23 H22 N2 O6
SMILES:	O=C(O)C(N)Cc3c(O)cc(O)c(NC(=CC=O)COc2cc1ccccc1cc2)c3
InChi:	InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1
Definition date:	2004-03-08
Last modified:	2023-11-03
Identifier:	2-hydroxy-5-({(1E)-1-[(naphthalen-2-yloxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine

NEL

NEL
Name:	2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide
Formula:	C15 H12 Cl N3 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1cccc2[NH]ncc12
InChi:	InChI=1S/C15H12ClN3O/c16-11-4-1-3-10(7-11)8-15(20)18-13-5-2-6-14-12(13)9-17-19-14/h1-7,9H,8H2,(H,17,19)(H,18,20)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide

NFK

NFK
Name:	N'-Formylkynurenine
Formula:	C11 H12 N2 O4
SMILES:	O=C(O)C(CC(c1ccccc1NC=O)=O)N
InChi:	InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1
Synonyms:	(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid
Definition date:	2016-10-04
Last modified:	2023-11-03
Release date:	2016-10-26
Identifier:	(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid

NGX

NGX
Name:	(2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
Formula:	C11 H12 Cl N3 O
SMILES:	OC(Cc1cccc(Cl)c1)Cn1cncn1
InChi:	InChI=1S/C11H12ClN3O/c12-10-3-1-2-9(4-10)5-11(16)6-15-8-13-7-14-15/h1-4,7-8,11,16H,5-6H2/t11-/m0/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol

0UZ

0UZ
Name:	(2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
Formula:	C8 H8 Cl N O3
SMILES:	Clc1cc(ccc1O)C(C(=O)O)N
InChi:	InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1
Definition date:	2012-06-27
Last modified:	2023-11-03
Identifier:	(2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid

NIJ

NIJ
Name:	3-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C15 H15 F N2 O
SMILES:	O=C(Nc1cnccc1C)CCc1cccc(F)c1
InChi:	InChI=1S/C15H15FN2O/c1-11-7-8-17-10-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide

NIT

NIT
Name:	4-NITROANILINE
Formula:	C6 H6 N2 O2
SMILES:	O=[N+]([O-])c1ccc(N)cc1
InChi:	InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
Synonyms:	PARANITROANILINE
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-nitroaniline

<93 94 95 96 97 98 99100101 102 103 104 105 106 107 108 >

224201

PDB entries from 2024-08-28

PDB statistics

PDBj update info

Contact PDBj

numon