Chemie クエリの検索結果 - 日本蛋白質構造データバンク

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PDB ウェブページステータス検索化合物検索: 43884 件 BIRD

3FB

3FB
表記:	(3S)-3-AMINO-4-PHENYLBUTANOIC ACID
組成式:	C10 H13 N O2
SMILES:	O=C(O)CC(N)Cc1ccccc1
InChi:	InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
定義日:	2002-08-05
最終更新日:	2024-09-27
識別子（ID）:	(3S)-3-amino-4-phenylbutanoic acid

3FC

3FC
表記:	(1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE
組成式:	C26 H32 F3 N5 O7
SMILES:	O=C3OCCN3NC(=O)C(=O)C(NC(=O)OC(Cc1nnc(o1)c2ccc(cc2)C(F)(F)F)C(C)(C)C)CCCC
InChi:	InChI=1S/C26H32F3N5O7/c1-5-6-7-17(20(35)21(36)33-34-12-13-39-24(34)38)30-23(37)40-18(25(2,3)4)14-19-31-32-22(41-19)15-8-10-16(11-9-15)26(27,28)29/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,30,37)(H,33,36)/t17-,18+/m0/s1
定義日:	2005-03-14
最終更新日:	2024-09-27
識別子（ID）:	(1R)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl [(1S)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentyl]carbamate

LMR

LMR
表記:	(2S)-2-hydroxybutanedioic acid
組成式:	C4 H6 O5
SMILES:	O=C(O)CC(O)C(=O)O
InChi:	InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
別名:	L-Malate
定義日:	2008-03-24
最終更新日:	2024-09-27
識別子（ID）:	(2S)-2-hydroxybutanedioic acid

3FG

3FG
表記:	(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid
組成式:	C8 H9 N O4
SMILES:	O=C(O)C(c1cc(O)cc(O)c1)N
InChi:	InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
定義日:	2009-03-27
最終更新日:	2024-09-27
識別子（ID）:	(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid

LN1

LN1
表記:	(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
組成式:	C22 H22 N2 O9 S
SMILES:	O=C(OCC(S(=O)O)(C)C(C(=O)O)Nc2c(cc1ccccn12)C=O)Cc3ccc(O)c(O)c3
InChi:	InChI=1S/C22H22N2O9S/c1-22(34(31)32,12-33-18(28)9-13-5-6-16(26)17(27)8-13)19(21(29)30)23-20-14(11-25)10-15-4-2-3-7-24(15)20/h2-8,10-11,19,23,26-27H,9,12H2,1H3,(H,29,30)(H,31,32)/t19-,22-/m0/s1
定義日:	2008-05-15
最終更新日:	2024-09-27
識別子（ID）:	(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine

3FO

3FO
表記:	N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide
組成式:	C22 H26 Cl N5 O5 S
SMILES:	Clc1cc(ccc1)C(NS(=O)(=O)C)C(=O)NC(C(=O)NCC(=O)NCC=[N@H])Cc2ccccc2
InChi:	InChI=1S/C22H26ClN5O5S/c1-34(32,33)28-20(16-8-5-9-17(23)13-16)22(31)27-18(12-15-6-3-2-4-7-15)21(30)26-14-19(29)25-11-10-24/h2-10,13,18,20,24,28H,11-12,14H2,1H3,(H,25,29)(H,26,30)(H,27,31)/b24-10-/t18-,20-/m0/s1
定義日:	2014-08-11
最終更新日:	2024-09-27
公開日:	2014-09-10
識別子（ID）:	N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide

LN5

LN5
表記:	N5-(1-iminopropyl)-L-ornithine
組成式:	C8 H17 N3 O2
SMILES:	O=C(O)C(N)CCCNC(=[N@H])CC
InChi:	InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1
別名:	(2S)-2-azanyl-5-(propanimidoylamino)pentanoic acid
定義日:	2009-07-07
最終更新日:	2024-09-27
識別子（ID）:	N~5~-[(1Z)-propanimidoyl]-L-ornithine

LN7

LN7
表記:	N~5~-[(1S)-1-aminopentyl]-L-ornithine
組成式:	C10 H23 N3 O2
SMILES:	O=C(O)C(N)CCCNC(N)CCCC
InChi:	InChI=1S/C10H23N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8-9,13H,2-7,11-12H2,1H3,(H,14,15)/t8-,9-/m0/s1
定義日:	2010-10-20
最終更新日:	2024-09-27
識別子（ID）:	N~5~-[(1S)-1-aminopentyl]-L-ornithine

3FS

3FS
表記:	N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide
組成式:	C16 H20 Cl2 N4 O4
SMILES:	Clc1cc(cc(Cl)c1)CC(=O)NC(C(=O)NCC(=O)NCC=[N@H])C(O)C
InChi:	InChI=1S/C16H20Cl2N4O4/c1-9(23)15(16(26)21-8-14(25)20-3-2-19)22-13(24)6-10-4-11(17)7-12(18)5-10/h2,4-5,7,9,15,19,23H,3,6,8H2,1H3,(H,20,25)(H,21,26)(H,22,24)/b19-2-/t9-,15+/m1/s1
定義日:	2014-08-11
最終更新日:	2024-09-27
公開日:	2014-09-10
識別子（ID）:	N-[(3,5-dichlorophenyl)acetyl]-L-threonyl-N-[(2Z)-2-iminoethyl]glycinamide

3FU

3FU
表記:	N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide
組成式:	C22 H28 Cl2 N6 O2
SMILES:	Clc1cc(cc(Cl)c1)C(N(C)C)C(=O)NC(C(=O)NCc2nc(ncc2)C=[N@H])C(C)CC
InChi:	InChI=1S/C22H28Cl2N6O2/c1-5-13(2)19(21(31)27-12-17-6-7-26-18(11-25)28-17)29-22(32)20(30(3)4)14-8-15(23)10-16(24)9-14/h6-11,13,19-20,25H,5,12H2,1-4H3,(H,27,31)(H,29,32)/b25-11-/t13-,19-,20+/m0/s1
定義日:	2014-08-11
最終更新日:	2024-09-27
公開日:	2014-09-10
識別子（ID）:	N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide

LNG

LNG
表記:	Delta-3isotetradecenoic acid
組成式:	C14 H26 O2
SMILES:	O=C(O)CC=C/CCCCCCCC(C)C
InChi:	InChI=1S/C14H26O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h8,10,13H,3-7,9,11-12H2,1-2H3,(H,15,16)/b10-8-
定義日:	2004-07-16
最終更新日:	2024-09-27
識別子（ID）:	(3Z)-12-methyltridec-3-enoic acid

LNK

LNK
表記:	PENTANE
組成式:	C5 H12
SMILES:	CCCCC
InChi:	InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
定義日:	2001-05-15
最終更新日:	2024-09-27
識別子（ID）:	pentane

3GC

3GC
表記:	GAMMA-GLUTAMYLCYSTEINE
組成式:	C8 H14 N2 O5 S
SMILES:	O=C(O)C(NC(=O)CCC(C(=O)O)N)CS
InChi:	InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
定義日:	2002-07-01
最終更新日:	2024-09-27
識別子（ID）:	L-gamma-glutamyl-L-cysteine

LNR

LNR
表記:	L-NOREPINEPHRINE
組成式:	C8 H11 N O3
SMILES:	Oc1ccc(cc1O)C(O)CN
InChi:	InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
別名:	NORADRENALINE
定義日:	2001-03-28
最終更新日:	2024-09-27
識別子（ID）:	4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

3GE

3GE
表記:	N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
組成式:	C9 H15 N O6 S
SMILES:	O=S(O)C(C)(C)C(NC=C(/CO)C=O)C(=O)O
InChi:	InChI=1S/C9H15NO6S/c1-9(2,17(15)16)7(8(13)14)10-3-6(4-11)5-12/h3-4,7,10,12H,5H2,1-2H3,(H,13,14)(H,15,16)/b6-3-/t7-/m0/s1
定義日:	2014-08-15
最終更新日:	2024-09-27
公開日:	2015-01-21
識別子（ID）:	N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine

LNT

LNT
表記:	N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine
組成式:	C10 H22 N2 O5
SMILES:	O=C(O)C(NC(O)(O)C(N)CC(C)C)C(O)C
InChi:	InChI=1S/C10H22N2O5/c1-5(2)4-7(11)10(16,17)12-8(6(3)13)9(14)15/h5-8,12-13,16-17H,4,11H2,1-3H3,(H,14,15)/t6-,7+,8+/m1/s1
定義日:	2007-11-07
最終更新日:	2024-09-27
識別子（ID）:	N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine

3GL

3GL
表記:	(2S,4S)-2-amino-4-hydroxy-pentanedioic acid
組成式:	C5 H9 N O5
SMILES:	O=C(O)C(N)CC(O)C(=O)O
InChi:	InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1
別名:	4-HYDROXY-GLUTAMIC-ACID
定義日:	2010-11-03
最終更新日:	2024-09-27
識別子（ID）:	(2S,4S)-2-amino-4-hydroxypentanedioic acid (non-preferred name)

LOH

LOH
表記:	3,4-dihydroxylysine
組成式:	C6 H14 N2 O4
SMILES:	NCC[CH](O)[CH](O)[CH](N)C(O)=O
InChi:	InChI=1S/C6H14N2O4/c7-2-1-3(9)5(10)4(8)6(11)12/h3-5,9-10H,1-2,7-8H2,(H,11,12)/t3-,4-,5+/m0/s1
定義日:	2017-09-08
最終更新日:	2024-09-27
公開日:	2018-06-27
識別子（ID）:	(2~{S},3~{S},4~{S})-2,6-bis(azanyl)-3,4-bis(oxidanyl)hexanoic acid

LOR

LOR
表記:	LORACABEF (Open form)
組成式:	C16 H18 Cl N3 O4
SMILES:	O=C(O)C2=NC(C(NC(=O)C(c1ccccc1)N)C=O)CCC2Cl
InChi:	InChI=1S/C16H18ClN3O4/c17-10-6-7-11(19-14(10)16(23)24)12(8-21)20-15(22)13(18)9-4-2-1-3-5-9/h1-5,8,10-13H,6-7,18H2,(H,20,22)(H,23,24)/t10-,11+,12+,13+/m0/s1
別名:	(3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid
定義日:	2000-08-11
最終更新日:	2024-09-27
識別子（ID）:	(3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid

LOU

LOU
表記:	3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine
組成式:	C13 H16 N2 O7
SMILES:	C(CN1C(C2C(C1=O)C3OC2(CC(N)C(=O)O)CC3)=O)(=O)O
InChi:	InChI=1S/C13H16N2O7/c14-5(12(20)21)3-13-2-1-6(22-13)8-9(13)11(19)15(10(8)18)4-7(16)17/h5-6,8-9H,1-4,14H2,(H,16,17)(H,20,21)/t5-,6-,8+,9-,13-/m0/s1
定義日:	2019-07-01
最終更新日:	2024-09-27
公開日:	2019-10-16
識別子（ID）:	3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine

LOV

LOV
表記:	5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID
組成式:	C12 H25 N O3
SMILES:	O=C(O)C(C(C)C)CC(O)C(N)CC(C)C
InChi:	InChI=1S/C12H25NO3/c1-7(2)5-10(13)11(14)6-9(8(3)4)12(15)16/h7-11,14H,5-6,13H2,1-4H3,(H,15,16)/t9-,10-,11-/m0/s1
定義日:	1999-07-08
最終更新日:	2024-09-27
識別子（ID）:	(2S,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(propan-2-yl)octanoic acid

LP0

LP0
表記:	(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid
組成式:	C10 H16 B N4 O9 P S
SMILES:	OP(O)(=O)OB(O)CNC(C(=N/OC(C)(C(O)=O)C)c1csc(n1)N)=O
InChi:	InChI=1S/C10H16BN4O9PS/c1-10(2,8(17)18)23-15-6(5-3-26-9(12)14-5)7(16)13-4-11(19)24-25(20,21)22/h3,19H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)(H2,20,21,22)/b15-6-
定義日:	2019-07-25
最終更新日:	2024-09-27
公開日:	2020-10-21
識別子（ID）:	(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid

LP6

LP6
表記:	6-piperidin-1-yl-L-norleucine
組成式:	C11 H22 N2 O2
SMILES:	O=C(O)C(N)CCCCN1CCCCC1
InChi:	InChI=1S/C11H22N2O2/c12-10(11(14)15)6-2-5-9-13-7-3-1-4-8-13/h10H,1-9,12H2,(H,14,15)/t10-/m0/s1
定義日:	2009-01-06
最終更新日:	2024-09-27
識別子（ID）:	6-piperidin-1-yl-L-norleucine

LPA

LPA
表記:	LIPOIC ACID
組成式:	C8 H14 O2 S2
SMILES:	O=C(O)CCCCC1SSCC1
InChi:	InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
別名:	5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid
定義日:	1999-07-08
最終更新日:	2024-09-27
識別子（ID）:	5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid

LPB

LPB
表記:	5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid
組成式:	C8 H14 O2 S2
SMILES:	O=C(O)CCCCC1SSCC1
InChi:	InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1
定義日:	2011-09-08
最終更新日:	2024-09-27
識別子（ID）:	5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid

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