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: 39937 results BIRD

MWN

MWN
Name:	methyl (3R)-5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate
Formula:	C10 H8 Br N O4
SMILES:	O=C(OC)c1cc(Br)cc2c1NC(=O)C2O
InChi:	InChI=1S/C10H8BrNO4/c1-16-10(15)6-3-4(11)2-5-7(6)12-9(14)8(5)13/h2-3,8,13H,1H3,(H,12,14)/t8-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	methyl (3R)-5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate

MX3

MX3
Name:	(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID
Formula:	C14 H19 N3 O4
SMILES:	O=C(O)CN(N)C(=O)CCC(=O)N(Cc1ccccc1)C
InChi:	InChI=1S/C14H19N3O4/c1-16(9-11-5-3-2-4-6-11)12(18)7-8-13(19)17(15)10-14(20)21/h2-6H,7-10,15H2,1H3,(H,20,21)
Synonyms:	AZA-ASPARTATE-N-BENZYL-N-METHYL-ACRYLAMIDE
Definition date:	2005-09-29
Last modified:	2023-11-03
Identifier:	(1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid

MX4

MX4
Name:	{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
Formula:	C13 H16 N2 O5
SMILES:	O=C(O)CN(N)C(=O)CCC(=O)OCc1ccccc1
InChi:	InChI=1S/C13H16N2O5/c14-15(8-12(17)18)11(16)6-7-13(19)20-9-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,17,18)
Definition date:	2005-09-29
Last modified:	2023-11-03
Identifier:	{1-[4-(benzyloxy)-4-oxobutanoyl]hydrazino}acetic acid

MX5

MX5
Name:	{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
Formula:	C15 H19 N3 O4
SMILES:	O=C(O)CN(N)C(=O)CCC(=O)N2c1ccccc1CCC2
InChi:	InChI=1S/C15H19N3O4/c16-18(10-15(21)22)14(20)8-7-13(19)17-9-3-5-11-4-1-2-6-12(11)17/h1-2,4,6H,3,5,7-10,16H2,(H,21,22)
Synonyms:	{N-[(E)-4-(3,4-DIHYDRO-2H-QUINOLIN-1-YL)-4-OXO-BUT-2-ENOYL]-HYDRAZINO}-ACETIC ACID
Definition date:	2005-10-02
Last modified:	2023-11-03
Identifier:	{1-[4-(3,4-dihydroquinolin-1(2H)-yl)-4-oxobutanoyl]hydrazino}acetic acid

MX9

MX9
Name:	(3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate
Formula:	C17 H15 N O4
SMILES:	Cc1cccc(c1)COC(=O)c1cccc2c1NC(=O)C2O
InChi:	InChI=1S/C17H15NO4/c1-10-4-2-5-11(8-10)9-22-17(21)13-7-3-6-12-14(13)18-16(20)15(12)19/h2-8,15,19H,9H2,1H3,(H,18,20)/t15-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate

9PR

9PR
Name:	N-methyl-L-prolinamide
Formula:	C6 H12 N2 O
SMILES:	O=C(NC)C1NCCC1
InChi:	InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
Definition date:	2010-12-09
Last modified:	2023-11-03
Identifier:	N-methyl-L-prolinamide

9R1

9R1
Name:	(2S)-2-aminooctanedioic acid
Formula:	C8 H15 N O4
SMILES:	NC(CCCCCC(O)=O)C(O)=O
InChi:	InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
Definition date:	2017-06-01
Last modified:	2023-11-03
Release date:	2017-11-15
Identifier:	(2S)-2-aminooctanedioic acid

9R7

9R7
Name:	L-gamma-glutamylglycine
Formula:	C7 H12 N2 O5
SMILES:	NC(CCC(NCC(O)=O)=O)C(=O)O
InChi:	InChI=1S/C7H12N2O5/c8-4(7(13)14)1-2-5(10)9-3-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1
Definition date:	2017-06-02
Last modified:	2023-11-03
Release date:	2017-11-15
Identifier:	L-gamma-glutamylglycine

9SO

9SO
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-3,5-dihydroxy-4-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:	C15 H24 N5 O17 P3
SMILES:	OP(=O)(O)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC1O
InChi:	InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(15(24)35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
Definition date:	2023-07-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-3,5-dihydroxy-4-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

9V7

9V7
Name:	phenylcarbamic acid
Formula:	C7 H7 N O2
SMILES:	N(C(O)=O)c1ccccc1
InChi:	InChI=1S/C7H7NO2/c9-7(10)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)
Definition date:	2017-06-13
Last modified:	2023-11-03
Release date:	2017-08-09
Identifier:	phenylcarbamic acid

9VA

9VA
Name:	3-[(2S,5S)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide
Formula:	C8 H13 N3 O3
SMILES:	C1=NC(CO)C(NC1CCC(=O)N)=O
InChi:	InChI=1S/C8H13N3O3/c9-7(13)2-1-5-3-10-6(4-12)8(14)11-5/h3,5-6,12H,1-2,4H2,(H2,9,13)(H,11,14)/t5-,6-/m0/s1
Definition date:	2017-06-13
Last modified:	2023-11-03
Release date:	2017-08-30
Identifier:	3-[(2S,5S)-5-(hydroxymethyl)-6-oxo-1,2,5,6-tetrahydropyrazin-2-yl]propanamide

9WV

9WV
Name:	beta-alanyl-3-amino-L-alanine
Formula:	C6 H13 N3 O3
SMILES:	NCC(NC(=O)CCN)C(O)=O
InChi:	InChI=1S/C6H13N3O3/c7-2-1-5(10)9-4(3-8)6(11)12/h4H,1-3,7-8H2,(H,9,10)(H,11,12)/t4-/m0/s1
Definition date:	2017-06-20
Last modified:	2023-11-03
Release date:	2017-10-04
Identifier:	beta-alanyl-3-amino-L-alanine

9XQ

9XQ
Name:	[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium
Formula:	C8 H10 N3 O2
SMILES:	NC(=[NH2+])Nc1cccc(c1)C(O)=O
InChi:	InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)/p+1
Definition date:	2017-07-27
Last modified:	2023-11-03
Release date:	2018-06-06
Identifier:	[azanyl-[(3-carboxyphenyl)amino]methylidene]azanium

60F

60F
Name:	(2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid
Formula:	C12 H13 N O4 S
SMILES:	N[CH](CSC(=O)C=Cc1ccc(O)cc1)C(O)=O
InChi:	InChI=1S/C12H13NO4S/c13-10(12(16)17)7-18-11(15)6-3-8-1-4-9(14)5-2-8/h1-6,10,14H,7,13H2,(H,16,17)/b6-3+/t10-/m0/s1
Definition date:	2016-01-07
Last modified:	2023-11-03
Release date:	2016-05-18
Identifier:	(2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid

60H

60H
Name:	(2~{S})-2-(diphenylmethyl)pyrrolidine
Formula:	C17 H19 N
SMILES:	C1CN[CH](C1)C(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1
Definition date:	2016-01-08
Last modified:	2023-11-03
Release date:	2016-01-27
Identifier:	(2~{S})-2-(diphenylmethyl)pyrrolidine

62H

62H
Name:	(2S)-3-amino-2-methylpropanoic acid
Formula:	C4 H9 N O2
SMILES:	NCC(C(=O)O)C
InChi:	InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
Definition date:	2016-01-15
Last modified:	2023-11-03
Release date:	2016-02-24
Identifier:	(2S)-3-amino-2-methylpropanoic acid

65T

65T
Name:	(2E)-2-[(4-sulfamoylphenyl)methoxyimino]ethanoic acid
Formula:	C9 H10 N2 O5 S
SMILES:	N[S](=O)(=O)c1ccc(CON=CC(O)=O)cc1
InChi:	InChI=1S/C9H10N2O5S/c10-17(14,15)8-3-1-7(2-4-8)6-16-11-5-9(12)13/h1-5H,6H2,(H,12,13)(H2,10,14,15)/b11-5-
Definition date:	2021-07-23
Last modified:	2023-11-03
Release date:	2023-01-18
Identifier:	(2~{E})-2-[(4-sulfamoylphenyl)methoxyimino]ethanoic acid

66C

66C
Name:	4-[8-(beta-alanyl)-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-L-phenylalanine
Formula:	C27 H26 N6 O3
SMILES:	O=C(CCN)N2Cc1ccccc1c4c(c3c2cccc3)nnn4c5ccc(cc5)CC(C(=O)O)N
InChi:	InChI=1S/C27H26N6O3/c28-14-13-24(34)32-16-18-5-1-2-6-20(18)26-25(21-7-3-4-8-23(21)32)30-31-33(26)19-11-9-17(10-12-19)15-22(29)27(35)36/h1-12,22H,13-16,28-29H2,(H,35,36)/t22-/m0/s1
Definition date:	2016-02-03
Last modified:	2023-11-03
Release date:	2016-07-13
Identifier:	4-[8-(beta-alanyl)-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-L-phenylalanine

66D

66D
Name:	(4R)-2,4-dimethyl-L-norleucine
Formula:	C8 H17 N O2
SMILES:	NC(CC(C)CC)(C)C(O)=O
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+/m1/s1
Definition date:	2016-02-03
Last modified:	2023-11-03
Release date:	2016-05-25
Identifier:	(4R)-2,4-dimethyl-L-norleucine

66E

66E
Name:	N-ethyl-L-valine
Formula:	C7 H15 N O2
SMILES:	C(NC(C(O)=O)C(C)C)C
InChi:	InChI=1S/C7H15NO2/c1-4-8-6(5(2)3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1
Definition date:	2016-02-03
Last modified:	2023-11-03
Release date:	2017-08-16
Identifier:	N-ethyl-L-valine

69P

69P
Name:	6-piperazin-1-yl-9H-purine
Formula:	C9 H12 N6
SMILES:	n2cnc1c(ncn1)c2N3CCNCC3
InChi:	InChI=1S/C9H12N6/c1-3-15(4-2-10-1)9-7-8(12-5-11-7)13-6-14-9/h5-6,10H,1-4H2,(H,11,12,13,14)
Definition date:	2010-05-26
Last modified:	2023-11-03
Identifier:	6-(piperazin-1-yl)-9H-purine

6A0

6A0
Name:	(2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid
Formula:	C8 H16 N2 O4
SMILES:	NC(C(O)=O)CCCCCC(NO)=O
InChi:	InChI=1S/C8H16N2O4/c9-6(8(12)13)4-2-1-3-5-7(11)10-14/h6,14H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
Definition date:	2016-02-24
Last modified:	2023-11-03
Release date:	2016-05-11
Identifier:	(2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid

6BR

6BR
Name:	threoninevanadate
Formula:	C4 H8 N O7 V
SMILES:	NC(C(O[V]([O-])(=O)([O-])[O-])C)C(O)=O
InChi:	InChI=1S/C4H8NO3.4O.V/c1-2(6)3(5)4(7)8
Definition date:	2016-03-03
Last modified:	2023-11-03
Release date:	2016-06-15
Identifier:	trioxido(oxo)(L-threoninato-kappaO~3~)vanadate(3-)

6CL

6CL
Name:	6-CARBOXYLYSINE
Formula:	C7 H15 N2 O4
SMILES:	O=C(O)C(CCCC(N)C(=O)O)[NH3+]
InChi:	InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/p+1/t4-,5+
Definition date:	2005-08-08
Last modified:	2023-11-03
Identifier:	(1R,5S)-5-amino-1,5-dicarboxypentan-1-aminium

6CV

6CV
Name:	3-bromo-L-phenylalanine
Formula:	C9 H10 Br N O2
SMILES:	Brc1cccc(CC(N)C(O)=O)c1
InChi:	InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2016-03-15
Last modified:	2023-11-03
Release date:	2016-10-26
Identifier:	3-bromo-L-phenylalanine

<113 114 115 116 117 118 119120121 122 123 124 125 126 127 128 >

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon