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I2F

I2F
Name:	(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6-oxidanyl-hexyl]iminohexane-1,2,4-triol
Formula:	C12 H26 N2 O5
SMILES:	CC(=NCCCC[CH](N)C(O)O)[CH](O)C[CH](O)CO
InChi:	InChI=1S/C12H26N2O5/c1-8(11(17)6-9(16)7-15)14-5-3-2-4-10(13)12(18)19/h9-12,15-19H,2-7,13H2,1H3/b14-8+/t9-,10-,11+/m0/s1
Definition date:	2022-02-08
Last modified:	2023-11-03
Release date:	2023-02-08
Identifier:	(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6,6-bis(oxidanyl)hexyl]iminohexane-1,2,4-triol

I2J

I2J
Name:	2-(2-aminoethoxy)ethan-1-ol
Formula:	C4 H11 N O2
SMILES:	NCCOCCO
InChi:	InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2
Definition date:	2022-01-07
Last modified:	2023-11-03
Release date:	2022-08-03
Identifier:	2-(2-aminoethoxy)ethan-1-ol

I3D

I3D
Name:	5,6-difluoro-tryptophan
Formula:	C11 H10 F2 N2 O2
SMILES:	N[CH](Cc1c[nH]c2cc(F)c(F)cc12)C(O)=O
InChi:	InChI=1S/C11H10F2N2O2/c12-7-2-6-5(1-9(14)11(16)17)4-15-10(6)3-8(7)13/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1
Synonyms:	(2S)-2-azanyl-3-[5,6-bis(fluoranyl)-1H-indol-3-yl]propanoic acid
Definition date:	2022-02-10
Last modified:	2023-11-03
Release date:	2022-11-23
Identifier:	(2~{S})-2-azanyl-3-[5,6-bis(fluoranyl)-1~{H}-indol-3-yl]propanoic acid

I4O

I4O
Name:	Histidine oxo-vanadium complex
Formula:	C6 H8 N3 O6 V
SMILES:	N[CH](Cc1cn(cn1)[V]([O-])([O-])([O-])=O)C(O)=O
InChi:	InChI=1S/C6H9N3O2.4O.V/c7-5(6(10)11)1-4-2-8-3-9-4
Synonyms:	[4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium
Definition date:	2022-02-11
Last modified:	2023-11-03
Release date:	2023-02-01
Identifier:	[4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium

I7X

I7X
Name:	6-imidazol-1-ylhexanoic acid
Formula:	C9 H14 N2 O2
SMILES:	OC(=O)CCCCCn1ccnc1
InChi:	InChI=1S/C9H14N2O2/c12-9(13)4-2-1-3-6-11-7-5-10-8-11/h5,7-8H,1-4,6H2,(H,12,13)
Definition date:	2022-06-14
Last modified:	2023-11-03
Release date:	2023-06-14
Identifier:	6-imidazol-1-ylhexanoic acid

IAE

IAE
Name:	(2S)-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
Formula:	C11 H12 F3 N O2
SMILES:	N[CH](CCc1ccc(cc1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C11H12F3NO2/c12-11(13,14)8-4-1-7(2-5-8)3-6-9(15)10(16)17/h1-2,4-5,9H,3,6,15H2,(H,16,17)/t9-/m0/s1
Definition date:	2022-06-23
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid

IB9

IB9
Name:	Beta-tyrosine
Formula:	C9 H11 N O3
SMILES:	N[CH](CC(O)=O)c1ccc(O)cc1
InChi:	InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Synonyms:	(3S)-3-azanyl-3-(4-hydroxyphenyl)propanoic acid
Definition date:	2022-03-08
Last modified:	2023-11-03
Release date:	2023-01-18
Identifier:	(3~{S})-3-azanyl-3-(4-hydroxyphenyl)propanoic acid

IC0

IC0
Name:	Fmoc-(S)-2-(4-pentenyl)-glycine
Formula:	C7 H13 N O2
SMILES:	N[CH](CCCC=C)C(O)=O
InChi:	InChI=1S/C7H13NO2/c1-2-3-4-5-6(8)7(9)10/h2,6H,1,3-5,8H2,(H,9,10)/t6-/m0/s1
Synonyms:	(2S)-2-azanylhept-6-enoic acid
Definition date:	2022-03-08
Last modified:	2023-11-03
Release date:	2022-05-18
Identifier:	(2~{S})-2-azanylhept-6-enoic acid

0FL

0FL
Name:	3-amino-N-formyl-L-alanine
Formula:	C4 H8 N2 O3
SMILES:	O=CNC(C(=O)O)CN
InChi:	InChI=1S/C4H8N2O3/c5-1-3(4(8)9)6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
Definition date:	2010-09-24
Last modified:	2023-11-03
Identifier:	3-amino-N-formyl-L-alanine

IEY

IEY
Name:	{5-hydroxy-4-(4-hydroxybenzyl)-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-1H-imidazol-1-yl}acetic acid
Formula:	C17 H16 N4 O4
SMILES:	O=C(O)Cn2c(O)c(nc2C=Cc1ncnc1)Cc3ccc(O)cc3
InChi:	InChI=1S/C17H16N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-6,8,10,14,22H,7,9H2,(H,18,19)(H,23,24)/b6-3+/t14-/m0/s1
Synonyms:	CHROMOPHORE (HIS-TYR-GLY)
Definition date:	2005-06-01
Last modified:	2023-11-03
Identifier:	{5-hydroxy-4-(4-hydroxybenzyl)-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-1H-imidazol-1-yl}acetic acid

0HQ

0HQ
Name:	diazomethane
Formula:	C H2 N2
SMILES:	[N-]=[N+]=C
InChi:	InChI=1S/CH2N2/c1-3-2/h1H2
Synonyms:	DIAZOMETHYL GROUP
Definition date:	2008-12-09
Last modified:	2023-11-03
Identifier:	diazomethane

0JU

0JU
Name:	(4S,5Z)-4-amino-5-iminopentanamide
Formula:	C5 H11 N3 O
SMILES:	O=C(N)CCC(C=[N@H])N
InChi:	InChI=1S/C5H11N3O/c6-3-4(7)1-2-5(8)9/h3-4,6H,1-2,7H2,(H2,8,9)/b6-3-/t4-/m0/s1
Definition date:	2012-01-27
Last modified:	2023-11-03
Release date:	2012-12-07
Identifier:	(4S,5Z)-4-amino-5-iminopentanamide

0JY

0JY
Name:	4-methyl-L-leucine
Formula:	C7 H15 N O2
SMILES:	O=C(O)C(N)CC(C)(C)C
InChi:	InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
Definition date:	2012-08-16
Last modified:	2023-11-03
Release date:	2012-10-26
Identifier:	4-methyl-L-leucine

0LF

0LF
Name:	(4R)-4-(4-phenylbutoxy)-L-proline
Formula:	C15 H21 N O3
SMILES:	O=C(O)C2NCC(OCCCCc1ccccc1)C2
InChi:	InChI=1S/C15H21NO3/c17-15(18)14-10-13(11-16-14)19-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18)/t13-,14+/m1/s1
Definition date:	2012-02-14
Last modified:	2023-11-03
Identifier:	(4R)-4-(4-phenylbutoxy)-L-proline

0MG

0MG
Name:	amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
Formula:	C7 H15 N4 O3
SMILES:	O=C(C(=O)O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C7H14N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4H,1-3,8H2,(H,13,14)(H4,9,10,11)/p+1/t4-/m0/s1
Definition date:	2010-09-24
Last modified:	2023-11-03
Identifier:	amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium

KAC

KAC
Name:	4-(benzoylamino)butanoic acid
Formula:	C11 H13 N O3
SMILES:	O=C(NCCCC(=O)O)c1ccccc1
InChi:	InChI=1S/C11H13NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14)
Definition date:	2014-10-07
Last modified:	2023-11-03
Release date:	2014-12-03
Identifier:	4-(benzoylamino)butanoic acid

0OB

0OB
Name:	3-(1-benzothiophen-2-yl)propanoic acid
Formula:	C11 H10 O2 S
SMILES:	O=C(O)CCc2sc1ccccc1c2
InChi:	InChI=1S/C11H10O2S/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13)
Definition date:	2012-03-30
Last modified:	2023-11-03
Release date:	2012-10-05
Identifier:	3-(1-benzothiophen-2-yl)propanoic acid

KCJ

KCJ
Name:	3-(1,3-thiazol-4-yl)-L-alanine
Formula:	C6 H8 N2 O2 S
SMILES:	c1scnc1CC(C(O)=O)N
InChi:	InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-11-3-8-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1
Definition date:	2018-11-20
Last modified:	2023-11-03
Release date:	2019-10-02
Identifier:	3-(1,3-thiazol-4-yl)-L-alanine

KCR

KCR
Name:	N-6-crotonyl-L-lysine
Formula:	C10 H18 N2 O3
SMILES:	NC(C(O)=O)CCCCNC(=O)[C@H]=[C@H]C
InChi:	InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1
Definition date:	2015-03-26
Last modified:	2023-11-03
Release date:	2015-09-16
Identifier:	N~6~-[(2E)-but-2-enoyl]-L-lysine

KEO

KEO
Name:	e(R)-beta-lysyl-hydroxylysine
Formula:	C12 H26 N4 O4
SMILES:	NCCC[CH](N)CC(=O)NCC[CH](O)C[CH](N)C(O)=O
InChi:	InChI=1S/C12H26N4O4/c13-4-1-2-8(14)6-11(18)16-5-3-9(17)7-10(15)12(19)20/h8-10,17H,1-7,13-15H2,(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1
Definition date:	2017-10-05
Last modified:	2023-11-03
Release date:	2017-11-22
Identifier:	(2~{S},4~{S})-2-azanyl-6-[[(3~{S})-3,6-bis(azanyl)hexanoyl]amino]-4-oxidanyl-hexanoic acid

KF2

KF2
Name:	[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid
Formula:	C16 H26 N O3 P
SMILES:	CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)C=O
InChi:	InChI=1S/C16H26NO3P/c1-13(2)10-15(11-18)12-21(19,20)16(17)9-8-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12,17H2,1-2H3,(H,19,20)/t15-,16+/m0/s1
Definition date:	2019-05-16
Last modified:	2023-11-03
Release date:	2019-12-18
Identifier:	[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid

0TD

0TD
Name:	(3S)-3-(methylsulfanyl)-L-aspartic acid
Formula:	C5 H9 N O4 S
SMILES:	O=C(O)C(N)C(SC)C(=O)O
InChi:	InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1
Definition date:	2012-02-22
Last modified:	2023-11-03
Release date:	2012-11-09
Identifier:	(3S)-3-(methylsulfanyl)-L-aspartic acid

KFB

KFB
Name:	5-Aminovaleric Acid
Formula:	C5 H11 N O2
SMILES:	NCCCCC(O)=O
InChi:	InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
Synonyms:	5-aminopentanoic acid
Definition date:	2019-05-17
Last modified:	2023-11-03
Release date:	2019-10-23
Identifier:	5-azanylpentanoic acid

KFU

KFU
Name:	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:	C18 H13 Cl N2 O2
SMILES:	Clc1cc2c(cc1)OCC2C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)/t15-/m1/s1
Definition date:	2023-08-11
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

KG9

KG9
Name:	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C24 H21 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1
Definition date:	2023-08-11
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

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