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

TFR

TFR
Name:	(2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid
Formula:	C11 H19 F3 N2 O4
SMILES:	FC(F)(F)C(O)C(NC(=O)CCCCC(C(=O)O)N)C
InChi:	InChI=1S/C11H19F3N2O4/c1-6(9(18)11(12,13)14)16-8(17)5-3-2-4-7(15)10(19)20/h6-7,9,18H,2-5,15H2,1H3,(H,16,17)(H,19,20)/t6-,7-,9+/m1/s1
Definition date:	2012-11-23
Last modified:	2024-09-27
Release date:	2013-03-27
Identifier:	(2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid

TFW

TFW
Name:	5,6,7-trifluoro-tryptophan
Formula:	C11 H9 F3 N2 O2
SMILES:	N[CH](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(O)=O
InChi:	InChI=1S/C11H9F3N2O2/c12-6-2-5-4(1-7(15)11(17)18)3-16-10(5)9(14)8(6)13/h2-3,7,16H,1,15H2,(H,17,18)/t7-/m0/s1
Synonyms:	(2S)-2-azanyl-3-[5,6,7-tris(fluoranyl)-1H-indol-3-yl]propanoic acid
Definition date:	2022-02-10
Last modified:	2024-09-27
Release date:	2022-11-23
Identifier:	(2~{S})-2-azanyl-3-[5,6,7-tris(fluoranyl)-1~{H}-indol-3-yl]propanoic acid

TG3

TG3
Name:	ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Formula:	C33 H52 N4 O8
SMILES:	CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)OCc2ccccc2)[CH](C)OC(C)(C)C
InChi:	InChI=1S/C33H52N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-13,21-22,24-26,28H,8,14-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t22-,24+,25-,26+,28+/m1/s1
Definition date:	2020-06-05
Last modified:	2024-09-27
Release date:	2020-06-17
Identifier:	ethyl (4~{R})-4-[[(2~{S})-4-methyl-2-[[(2~{S},3~{R})-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate

48V

48V
Name:	{[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
Formula:	C5 H10 N2 O3 S
SMILES:	O=C(N)C(N)CSCC(=O)O
InChi:	InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1
Definition date:	2015-02-13
Last modified:	2024-09-27
Release date:	2015-09-23
Identifier:	{[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid

TGA

TGA
Name:	2-sulfanylethyl beta-D-galactopyranoside
Formula:	C8 H16 O6 S
SMILES:	OC[CH]1O[CH](OCCS)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C8H16O6S/c9-3-4-5(10)6(11)7(12)8(14-4)13-1-2-15/h4-12,15H,1-3H2/t4-,5+,6+,7-,8-/m1/s1
Synonyms:	METHANETHIOSULFONYL-GALACTOSIDE
Definition date:	2011-01-19
Last modified:	2024-09-27
Identifier:	(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol

48Z

48Z
Name:	2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose
Formula:	C5 H10 F O6 P S
SMILES:	FC1C(O)C(OC1O)COP(=O)(O)S
InChi:	InChI=1S/C5H10FO6PS/c6-3-4(7)2(12-5(3)8)1-11-13(9,10)14/h2-5,7-8H,1H2,(H2,9,10,14)/t2-,3+,4-,5+/m1/s1
Definition date:	2011-05-11
Last modified:	2024-09-27
Identifier:	2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose

TGH

TGH
Name:	6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan
Formula:	C13 H15 N3 O6
SMILES:	NC(C(=O)O)Cc1cnc2c1ccc(c2O)NC(C(=O)O)O
InChi:	InChI=1S/C13H15N3O6/c14-7(12(19)20)3-5-4-15-9-6(5)1-2-8(10(9)17)16-11(18)13(21)22/h1-2,4,7,11,15-18H,3,14H2,(H,19,20)(H,21,22)/t7-,11-/m0/s1
Definition date:	2020-01-29
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	6-{[(S)-carboxy(hydroxy)methyl]amino}-7-hydroxy-L-tryptophan

52T

52T
Name:	(4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate
Formula:	C19 H26 N4 O4
SMILES:	C(n2c1c(C(OC(NC(C)C)=O)CCC1(O)C)nn2)c3ccc(cc3)OC
InChi:	InChI=1S/C19H26N4O4/c1-12(2)20-18(24)27-15-9-10-19(3,25)17-16(15)21-22-23(17)11-13-5-7-14(26-4)8-6-13/h5-8,12,15,25H,9-11H2,1-4H3,(H,20,24)/t15-,19-/m1/s1
Definition date:	2015-07-20
Last modified:	2024-09-27
Release date:	2016-01-13
Identifier:	(4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate

TH5

TH5
Name:	O-acetyl-L-threonine
Formula:	C6 H11 N O4
SMILES:	O=C(OC(C(N)C(=O)O)C)C
InChi:	InChI=1S/C6H11NO4/c1-3(11-4(2)8)5(7)6(9)10/h3,5H,7H2,1-2H3,(H,9,10)/t3-,5+/m1/s1
Definition date:	2008-08-01
Last modified:	2024-09-27
Identifier:	O-acetyl-L-threonine

TH6

TH6
Name:	4-HYDROXY-L-THREONINE
Formula:	C4 H9 N O4
SMILES:	O=C(O)C(N)C(O)CO
InChi:	InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1
Definition date:	2009-10-22
Last modified:	2024-09-27
Identifier:	4-hydroxy-L-threonine

THC

THC
Name:	N-METHYLCARBONYLTHREONINE
Formula:	C6 H11 N O4
SMILES:	O=C(O)C(NC(=O)C)C(O)C
InChi:	InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-L-threonine

THJ

THJ
Name:	THIOSULFATE
Formula:	O3 S2
SMILES:	[O-]S([S-])(=O)=O
InChi:	InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	thiosulfate

THO

THO
Name:	REDUCED THREONINE
Formula:	C4 H11 N O2
SMILES:	OCC(N)C(O)C
InChi:	InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R,3R)-2-aminobutane-1,3-diol

THZ

THZ
Name:	1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine
Formula:	C13 H17 N5 O S
SMILES:	O=C(c1nc2ccccc2s1)C(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C13H17N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8H,3-4,7,14H2,(H4,15,16,17)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine

54C

54C
Name:	(betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan
Formula:	C16 H20 N2 O4
SMILES:	C(C(=O)O)(N)C(c1cn(c2c1cccc2)C(C)(C)C3CO3)O
InChi:	InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13-,14+/m0/s1
Definition date:	2015-07-23
Last modified:	2024-09-27
Release date:	2015-10-28
Identifier:	(betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan

54G

54G
Name:	2-hydroxy-5-methylbenzoic acid
Formula:	C8 H8 O3
SMILES:	c1cc(c(cc1C)C(O)=O)O
InChi:	InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
Definition date:	2015-07-23
Last modified:	2024-09-27
Release date:	2016-07-27
Identifier:	2-hydroxy-5-methylbenzoic acid

54I

54I
Name:	(3E)-3-(hydroxyimino)propanoic acid
Formula:	C3 H5 N O3
SMILES:	O=C(O)CC=NO
InChi:	InChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6)/b4-2+
Definition date:	2021-07-15
Last modified:	2024-09-27
Release date:	2021-12-01
Identifier:	(3E)-3-(hydroxyimino)propanoic acid

54L

54L
Name:	pent-4-ynoic acid
Formula:	C5 H6 O2
SMILES:	C(CCC#C)(=O)O
InChi:	InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)
Definition date:	2015-07-23
Last modified:	2024-09-27
Release date:	2015-12-02
Identifier:	pent-4-ynoic acid

TIG

TIG
Name:	N-(2-aminoethyl)-L-tryptophan
Formula:	C13 H17 N3 O2
SMILES:	O=C(O)C(NCCN)Cc2c1ccccc1nc2
InChi:	InChI=1S/C13H17N3O2/c14-5-6-15-12(13(17)18)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,15-16H,5-7,14H2,(H,17,18)/t12-/m0/s1
Definition date:	2010-10-14
Last modified:	2024-09-27
Identifier:	N-(2-aminoethyl)-L-tryptophan

TIH

TIH
Name:	BETA(2-THIENYL)ALANINE
Formula:	C7 H9 N O2 S
SMILES:	O=C(O)C(N)Cc1sccc1
InChi:	InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-thiophen-2-yl-L-alanine

TIS

TIS
Name:	O-(1,1-dihydroxyethyl)-L-serine
Formula:	C5 H11 N O5
SMILES:	O=C(O)C(N)COC(O)(O)C
InChi:	InChI=1S/C5H11NO5/c1-5(9,10)11-2-3(6)4(7)8/h3,9-10H,2,6H2,1H3,(H,7,8)/t3-/m0/s1
Definition date:	2009-01-28
Last modified:	2024-09-27
Identifier:	O-(1,1-dihydroxyethyl)-L-serine

TJ7

TJ7
Name:	(2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid
Formula:	C16 H20 N2 O7 S2
SMILES:	O=CC(OC)(C1SC(C(N1)C(O)=O)(C)C)NC(=O)C(C(O)=O)c2cscc2
InChi:	InChI=1S/C16H20N2O7S2/c1-15(2)10(13(23)24)17-14(27-15)16(7-19,25-3)18-11(20)9(12(21)22)8-4-5-26-6-8/h4-7,9-10,14,17H,1-3H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,14-,16+/m1/s1
Synonyms:	temocillin
Definition date:	2019-10-15
Last modified:	2024-09-27
Release date:	2019-10-30
Identifier:	(2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

TJ8

TJ8
Name:	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C16 H11 Br N2 O
SMILES:	Brc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H11BrN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
Synonyms:	LvD1009
Definition date:	2020-12-22
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

55I

55I
Name:	4-(trifluoromethyl)-L-phenylalanine
Formula:	C10 H10 F3 N O2
SMILES:	FC(F)(F)c1ccc(CC(N)C(=O)O)cc1
InChi:	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
Definition date:	2021-07-16
Last modified:	2024-09-27
Release date:	2021-09-29
Identifier:	4-(trifluoromethyl)-L-phenylalanine

TJB

TJB
Name:	2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C16 H11 Cl N2 O
SMILES:	Clc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H11ClN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
Synonyms:	LvD1017
Definition date:	2020-12-22
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde

<141 142 143 144 145 146 147148149 150 151 152 153 154 155 156 >

238582

PDB entries from 2025-07-09

PDB statistics

PDBj update info

Contact PDBj

numon