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: 35611 results BIRD

4SA

4SA
Name:	tert-butyl [(1S)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate
Formula:	C19 H22 N2 O4
SMILES:	c2ccc(c1ccc(C(NC(OC(C)(C)C)=O)C(NO)=O)cc1)cc2
InChi:	InChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)20-16(17(22)21-24)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12,16,24H,1-3H3,(H,20,23)(H,21,22)/t16-/m0/s1
Definition date:	2015-05-20
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	tert-butyl [(1S)-1-(biphenyl-4-yl)-2-(hydroxyamino)-2-oxoethyl]carbamate

4SY

4SY
Name:	tert-butyl {(1S)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate
Formula:	C17 H22 N4 O4
SMILES:	c1(ccc(cc1)c2cnn(c2)C)C(NC(OC(C)(C)C)=O)C(=O)NO
InChi:	InChI=1S/C17H22N4O4/c1-17(2,3)25-16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)/t14-/m0/s1
Definition date:	2015-05-21
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	tert-butyl {(1S)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}carbamate

4SZ

4SZ
Name:	tert-butyl [(1S)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate
Formula:	C19 H19 F3 N2 O4
SMILES:	CC(OC(NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)=O)(C)C
InChi:	InChI=1S/C19H19F3N2O4/c1-19(2,3)28-18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)/t16-/m0/s1
Definition date:	2015-05-21
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	tert-butyl [(1S)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate

4T2

4T2
Name:	tert-butyl {(1S)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate
Formula:	C20 H24 N4 O5
SMILES:	CC(OC(NC(c1ccc(cc1)c2cccc(c2)C(=NO)N)C(=O)NO)=O)(C)C
InChi:	InChI=1S/C20H24N4O5/c1-20(2,3)29-19(26)22-16(18(25)24-28)13-9-7-12(8-10-13)14-5-4-6-15(11-14)17(21)23-27/h4-11,16,27-28H,1-3H3,(H2,21,23)(H,22,26)(H,24,25)/t16-/m0/s1
Definition date:	2015-05-21
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	tert-butyl {(1S)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}carbamate

4TK

4TK
Name:	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide
Formula:	C13 H17 Br N2 O3
SMILES:	C(c1ccc(Br)cc1)(NC(=O)C(C)(C)C)C(=O)NO
InChi:	InChI=1S/C13H17BrN2O3/c1-13(2,3)12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
Definition date:	2015-05-22
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide

4TL

4TL
Name:	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide
Formula:	C19 H19 F3 N2 O3
SMILES:	CC(C)(C(NC(c1ccc(cc1)c2cc(F)c(F)c(F)c2)C(=O)NO)=O)C
InChi:	InChI=1S/C19H19F3N2O3/c1-19(2,3)18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)/t16-/m1/s1
Definition date:	2015-05-22
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide

4TM

4TM
Name:	N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide
Formula:	C17 H20 N2 O3 S
SMILES:	CC(C)(C(NC(c1ccc(cc1)c2ccsc2)C(=O)NO)=O)C
InChi:	InChI=1S/C17H20N2O3S/c1-17(2,3)16(21)18-14(15(20)19-22)12-6-4-11(5-7-12)13-8-9-23-10-13/h4-10,14,22H,1-3H3,(H,18,21)(H,19,20)/t14-/m1/s1
Definition date:	2015-05-22
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide

4TY

4TY
Name:	tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate
Formula:	C13 H17 Br N2 O4
SMILES:	c1(ccc(cc1)Br)C(C(NO)=O)NC(=O)OC(C)(C)C
InChi:	InChI=1S/C13H17BrN2O4/c1-13(2,3)20-12(18)15-10(11(17)16-19)8-4-6-9(14)7-5-8/h4-7,10,19H,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
Definition date:	2015-05-27
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	tert-butyl [(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]carbamate

4U5

4U5
Name:	N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide
Formula:	C17 H22 N4 O3
SMILES:	CC(C)(C)C(NC(C(=O)NO)c1ccc(cc1)c2cnn(c2)C)=O
InChi:	InChI=1S/C17H22N4O3/c1-17(2,3)16(23)19-14(15(22)20-24)12-7-5-11(6-8-12)13-9-18-21(4)10-13/h5-10,14,24H,1-4H3,(H,19,23)(H,20,22)/t14-/m1/s1
Definition date:	2015-05-27
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide

4U6

4U6
Name:	N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide
Formula:	C20 H24 N4 O4
SMILES:	CC(C)(C)C(NC(C(=O)NO)c1ccc(cc1)c2cc(ccc2)/C(N)=N/O)=O
InChi:	InChI=1S/C20H24N4O4/c1-20(2,3)19(26)22-16(18(25)24-28)13-9-7-12(8-10-13)14-5-4-6-15(11-14)17(21)23-27/h4-11,16,27-28H,1-3H3,(H2,21,23)(H,22,26)(H,24,25)/t16-/m1/s1
Definition date:	2015-05-27
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide

5JC

5JC
Name:	2,4-dichlorophenol
Formula:	C6 H4 Cl2 O
SMILES:	Clc1c(ccc(c1)Cl)O
InChi:	InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
Definition date:	2015-09-30
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	2,4-dichlorophenol

5LR

5LR
Name:	5-(4-chlorophenyl)-~{N}-[3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine
Formula:	C22 H24 Cl N3 O2 S
SMILES:	CC1=C(c2ccc(Cl)cc2)[S](=O)(=O)N=C1NCCCN3CCc4ccccc4C3
InChi:	InChI=1S/C22H24ClN3O2S/c1-16-21(18-7-9-20(23)10-8-18)29(27,28)25-22(16)24-12-4-13-26-14-11-17-5-2-3-6-19(17)15-26/h2-3,5-10H,4,11-15H2,1H3,(H,24,25)
Definition date:	2015-10-20
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	5-(4-chlorophenyl)-~{N}-[3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine

5SF

5SF
Name:	~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine
Formula:	C25 H30 N6 O2
SMILES:	COc1cc(OC)cc(c1)N(CCNC(C)C)c2ccc3ncc(nc3c2)c4cnn(C)c4
InChi:	InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
Definition date:	2015-11-20
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine

AO
Name:	ACRIDINE ORANGE
Formula:	C17 H20 N3
SMILES:	CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C
InChi:	InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3/p+1
Definition date:	1999-07-08
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	N,N,N',N'-tetramethylacridin-10-ium-3,6-diamine

HCK

HCK
Name:	4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid
Formula:	C18 H14 N2 O4 S
SMILES:	COc1ccc(cc1)C(=O)Nc2sc(cn2)c3ccc(cc3)C(O)=O
InChi:	InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
Definition date:	2015-11-17
Last modified:	2016-03-25
Release date:	2016-03-30
Identifier:	4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid

WQS

WQS
Name:	2-[(3S)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid
Formula:	C10 H8 F N O3
SMILES:	OC(=O)C[CH]1C(=O)Nc2ccc(F)cc12
InChi:	InChI=1S/C10H8FNO3/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(15)12-8/h1-3,7H,4H2,(H,12,15)(H,13,14)/t7-/m0/s1
Definition date:	2016-03-09
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	2-[(3S)-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanoic acid

TGD

TGD
Name:	1-deoxy-D-tagatose
Formula:	C6 H12 O5
SMILES:	CC(=O)C(O)C(O)C(CO)O
InChi:	InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h4-7,9-11H,2H2,1H3/t4-,5-,6+/m1/s1
Definition date:	2015-03-26
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	1-deoxy-D-tagatose

TGJ

TGJ
Name:	1-deoxy-L-tagatose
Formula:	C6 H12 O5
SMILES:	CC(C(C(O)C(CO)O)O)=O
InChi:	InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h4-7,9-11H,2H2,1H3/t4-,5-,6+/m0/s1
Definition date:	2015-03-27
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	1-deoxy-L-tagatose

T20

T20
Name:	3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide
Formula:	C26 H25 N5 O3
SMILES:	O=N(=O)c1cccc(c1)C(=O)Nc3nc4cc(ccc4n3c2ccccc2)CN5CCCCC5
InChi:	InChI=1S/C26H25N5O3/c32-25(20-8-7-11-22(17-20)31(33)34)28-26-27-23-16-19(18-29-14-5-2-6-15-29)12-13-24(23)30(26)21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,27,28,32)
Definition date:	2014-10-24
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide

WGT

WGT
Name:	ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate
Formula:	C11 H11 N O2 S2
SMILES:	CCOC(=O)c1c(csc1N)c2sccc2
InChi:	InChI=1S/C11H11NO2S2/c1-2-14-11(13)9-7(6-16-10(9)12)8-4-3-5-15-8/h3-6H,2,12H2,1H3
Definition date:	2016-03-16
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	ethyl 5'-amino[2,3'-bithiophene]-4'-carboxylate

7SI

7SI
Name:	(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol
Formula:	C11 H12 O2
SMILES:	C1CC2CC1c3c(O)ccc(O)c23
InChi:	InChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h3-4,6-7,12-13H,1-2,5H2/t6-,7+
Definition date:	2016-03-15
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalene-5,8-diol

KP6

KP6
Name:	2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol
Formula:	C8 H14 N2 O
SMILES:	OCCc1c(nn(c1C)C)C
InChi:	InChI=1S/C8H14N2O/c1-6-8(4-5-11)7(2)10(3)9-6/h11H,4-5H2,1-3H3
Definition date:	2015-07-09
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol

L32

L32
Name:	{[(2,7-dibromo-9H-fluoren-9-ylidene)amino]oxy}acetic acid
Formula:	C15 H9 Br2 N O3
SMILES:	Brc3ccc2c1ccc(cc1C(c2c3)=N/OCC(O)=O)Br
InChi:	InChI=1S/C15H9Br2NO3/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(12(10)5-8)18-21-7-14(19)20/h1-6H,7H2,(H,19,20)
Definition date:	2015-09-30
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	{[(2,7-dibromo-9H-fluoren-9-ylidene)amino]oxy}acetic acid

L57

L57
Name:	({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid
Formula:	C15 H11 Cl2 N O3
SMILES:	Clc2c(cc(/C(c1ccccc1)=NOCC(O)=O)cc2)Cl
InChi:	InChI=1S/C15H11Cl2NO3/c16-12-7-6-11(8-13(12)17)15(18-21-9-14(19)20)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)/b18-15-
Definition date:	2015-10-07
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid

51F

51F
Name:	2-(2-methyl-1H-imidazol-1-yl)ethanol
Formula:	C6 H10 N2 O
SMILES:	OCCn1c(ncc1)C
InChi:	InChI=1S/C6H10N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,9H,4-5H2,1H3
Definition date:	2015-07-09
Last modified:	2016-03-18
Release date:	2016-03-23
Identifier:	2-(2-methyl-1H-imidazol-1-yl)ethanol

<1050 1051 1052 1053 1054 1055 105610571058 1059 1060 1061 1062 1063 1064 1065 >

225946

PDB entries from 2024-10-09

PDB statistics

PDBj update info

Contact PDBj

numon