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L70

L70
Name:	(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide
Formula:	C19 H28 Cl2 N4 O2 S2
SMILES:	CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N
InChi:	InChI=1S/C19H28Cl2N4O2S2/c1-24(2)7-9-29-28-8-5-23-18(26)13-4-3-6-25(12-13)19(27)15-10-14(20)11-16(21)17(15)22/h10-11,13H,3-9,12,22H2,1-2H3,(H,23,26)/t13-/m0/s1
Definition date:	2022-06-20
Last modified:	2024-09-27
Release date:	2023-04-26
Identifier:	(3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide

5IW

5IW
Name:	(2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide
Formula:	C32 H40 N4 O5
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)C=Cc2ccccc2)C(=O)N[CH](C[CH]3CCCNC3=O)C=O
InChi:	InChI=1S/C32H40N4O5/c1-22(2)18-27(31(40)34-26(21-37)20-25-14-9-17-33-30(25)39)36-32(41)28(19-24-12-7-4-8-13-24)35-29(38)16-15-23-10-5-3-6-11-23/h3-8,10-13,15-16,21-22,25-28H,9,14,17-20H2,1-2H3,(H,33,39)(H,34,40)(H,35,38)(H,36,41)/t25-,26-,27-,28-/m0/s1
Definition date:	2022-02-02
Last modified:	2024-09-27
Release date:	2022-04-13
Identifier:	(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2~{S})-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide

L71

L71
Name:	(3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
Formula:	C13 H16 N2 O2
SMILES:	O=C2N(C(=O)CC2c1cccc(c1)CN)CC
InChi:	InChI=1S/C13H16N2O2/c1-2-15-12(16)7-11(13(15)17)10-5-3-4-9(6-10)8-14/h3-6,11H,2,7-8,14H2,1H3/t11-/m0/s1
Definition date:	2014-07-02
Last modified:	2024-09-27
Release date:	2015-03-04
Identifier:	(3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione

1LU

1LU
Name:	(2S)-2-hydroxy-4-methyl-pentanoic acid
Formula:	C6 H12 O3
SMILES:	O=C(O)C(O)CC(C)C
InChi:	InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
Definition date:	2000-01-21
Last modified:	2024-09-27
Identifier:	(2S)-2-hydroxy-4-methylpentanoic acid

W6Q

W6Q
Name:	(2~{R},3~{S})-3-azanyl-~{N}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide
Formula:	C13 H20 N2 O2
SMILES:	C[CH](N)[CH](O)C(=O)NCc1cc(C)ccc1C
InChi:	InChI=1S/C13H20N2O2/c1-8-4-5-9(2)11(6-8)7-15-13(17)12(16)10(3)14/h4-6,10,12,16H,7,14H2,1-3H3,(H,15,17)/t10-,12+/m0/s1
Definition date:	2017-01-09
Last modified:	2024-09-27
Release date:	2017-11-15
Identifier:	(2~{R},3~{S})-3-azanyl-~{N}-[(2,5-dimethylphenyl)methyl]-2-oxidanyl-butanamide

TDD

TDD
Name:	(2R)-2-amino-3,3-dimethyl-butanoic acid
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)(C)C
InChi:	InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1
Synonyms:	D-tert-leucine
Definition date:	2008-06-02
Last modified:	2024-09-27
Identifier:	3-methyl-D-valine

QJE

QJE
Name:	3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
Formula:	C15 H33 N O7
SMILES:	NCCOCCOCCOCCOCCOCCOCCCO
InChi:	InChI=1S/C15H33NO7/c16-2-5-19-7-9-21-11-13-23-15-14-22-12-10-20-8-6-18-4-1-3-17/h17H,1-16H2
Definition date:	2020-06-18
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	3-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol

N99

N99
Name:	~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide
Formula:	C10 H9 N3 O
SMILES:	C=CC(=O)Nc1cc2ccccn2n1
InChi:	InChI=1S/C10H9N3O/c1-2-10(14)11-9-7-8-5-3-4-6-13(8)12-9/h2-7H,1H2,(H,11,12,14)
Definition date:	2023-01-11
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide

5IZ

5IZ
Name:	(2S,3S)-3-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanamide
Formula:	C23 H31 N3 O4
SMILES:	CC[CH](C)[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O
InChi:	InChI=1S/C23H31N3O4/c1-3-16(2)21(26-20(28)12-11-17-8-5-4-6-9-17)23(30)25-19(15-27)14-18-10-7-13-24-22(18)29/h4-6,8-9,11-12,15-16,18-19,21H,3,7,10,13-14H2,1-2H3,(H,24,29)(H,25,30)(H,26,28)/b12-11+/t16-,18-,19-,21-/m0/s1
Definition date:	2022-02-02
Last modified:	2024-09-27
Release date:	2022-04-13
Identifier:	(2~{S},3~{S})-3-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide

UWH

UWH
Name:	4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde
Formula:	C14 H20 N2 O4 S
SMILES:	COCCN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C14H20N2O4S/c1-20-11-10-15-6-8-16(9-7-15)21(18,19)14-4-2-13(12-17)3-5-14/h2-5,12H,6-11H2,1H3
Definition date:	2021-03-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde

TDF

TDF
Name:	4-(trifluoromethyl)-D-phenylalanine
Formula:	C10 H10 F3 N O2
SMILES:	FC(F)(F)c1ccc(cc1)CC(C(=O)O)N
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-/m1/s1
Definition date:	2011-09-15
Last modified:	2024-09-27
Identifier:	4-(trifluoromethyl)-D-phenylalanine

LLK

LLK
Name:	(2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one
Formula:	C15 H14 O2
SMILES:	O=C(c1ccc2c(c1)ccc(OC)c2)/C=C/C
InChi:	InChI=1S/C15H14O2/c1-3-4-15(16)13-6-5-12-10-14(17-2)8-7-11(12)9-13/h3-10H,1-2H3/b4-3+
Definition date:	2013-11-04
Last modified:	2024-09-27
Release date:	2014-11-12
Identifier:	(2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one

PBP

PBP
Name:	p-Bromophenacyl bromide
Formula:	C8 H6 Br2 O
SMILES:	C(C(c1ccc(cc1)Br)=O)Br
InChi:	InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-bromo-1-(4-bromophenyl)ethan-1-one

QX7

QX7
Name:	N-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-L-alanine
Formula:	C13 H15 F N2 O6 S
SMILES:	c1c(c(ccc1S(=O)(=O)F)C)C(NCC(C(=O)O)NC(=O)C)=O
InChi:	InChI=1S/C13H15FN2O6S/c1-7-3-4-9(23(14,21)22)5-10(7)12(18)15-6-11(13(19)20)16-8(2)17/h3-5,11H,6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t11-/m0/s1
Definition date:	2020-01-10
Last modified:	2024-09-27
Release date:	2020-12-30
Identifier:	N-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-L-alanine

TRL

TRL
Name:	{1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER
Formula:	C19 H35 N3 O6 S
SMILES:	O=C(N1CCC(NS(=O)(=O)C)C1C(C=O)CC)C(NC(=O)OC(C)(C)C)C(C)C
InChi:	InChI=1S/C19H35N3O6S/c1-8-13(11-23)16-14(21-29(7,26)27)9-10-22(16)17(24)15(12(2)3)20-18(25)28-19(4,5)6/h11-16,21H,8-10H2,1-7H3,(H,20,25)/t13-,14+,15+,16-/m1/s1
Synonyms:	GW472467X
Definition date:	2002-11-01
Last modified:	2024-09-27
Identifier:	tert-butyl [(1S)-1-({(2R,3S)-2-[(1S)-1-formylpropyl]-3-[(methylsulfonyl)amino]pyrrolidin-1-yl}carbonyl)-2-methylpropyl]carbamate

UWK

UWK
Name:	4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde
Formula:	C13 H17 N O4 S
SMILES:	CO[CH]1CCCN(C1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C13H17NO4S/c1-18-12-3-2-8-14(9-12)19(16,17)13-6-4-11(10-15)5-7-13/h4-7,10,12H,2-3,8-9H2,1H3/t12-/m1/s1
Definition date:	2021-03-24
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde

TRM

TRM
Name:	1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID
Formula:	C8 H6 N2 O2
SMILES:	O=C(O)c2nc1ccccc1n2
InChi:	InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)
Definition date:	2000-09-12
Last modified:	2024-09-27
Identifier:	1H-benzimidazole-2-carboxylic acid

MUY

MUY
Name:	(R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid
Formula:	C19 H22 N3 O6 P
SMILES:	Oc1ccc(cc1)C(P(=O)(O)C)N2CC(C2=O)NC(=O)C(N)c3ccc(cc3)O
InChi:	InChI=1S/C19H22N3O6P/c1-29(27,28)19(12-4-8-14(24)9-5-12)22-10-15(18(22)26)21-17(25)16(20)11-2-6-13(23)7-3-11/h2-9,15-16,19,23-24H,10,20H2,1H3,(H,21,25)(H,27,28)/t15-,16+,19-/m0/s1
Definition date:	2019-04-16
Last modified:	2024-09-27
Release date:	2019-09-11
Identifier:	(R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid

LLO

LLO
Name:	N~6~-[(1S)-3-hydroxy-1,3-dimethylbutyl]-L-lysine
Formula:	C12 H26 N2 O3
SMILES:	O=C(O)C(N)CCCCNC(CC(O)(C)C)C
InChi:	InChI=1S/C12H26N2O3/c1-9(8-12(2,3)17)14-7-5-4-6-10(13)11(15)16/h9-10,14,17H,4-8,13H2,1-3H3,(H,15,16)/t9-,10-/m0/s1
Synonyms:	4-Hydroxy-4-Methyl-2-Pentanone
Definition date:	2010-07-20
Last modified:	2024-09-27
Identifier:	N~6~-[(2S)-4-hydroxy-4-methylpentan-2-yl]-L-lysine

TRN

TRN
Name:	NZ2-TRYPTOPHAN
Formula:	C10 H11 N3 O2
SMILES:	O=C(O)C(N)Cc2c1cccnc1nc2
InChi:	InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine

MUZ

MUZ
Name:	[(~{R})-(4-carbamimidoylphenyl)-[[(2~{S})-1-[(2~{R})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid
Formula:	C35 H44 N5 O6 P S
SMILES:	NC(=N)c1ccc(cc1)[CH](NC(=O)[CH]2CCCN2C(=O)[CH](CC3CCCCC3)N[S](=O)(=O)Cc4ccccc4)[P](O)Oc5ccccc5
InChi:	InChI=1S/C35H44N5O6PS/c36-32(37)27-18-20-28(21-19-27)34(47(43)46-29-15-8-3-9-16-29)38-33(41)31-17-10-22-40(31)35(42)30(23-25-11-4-1-5-12-25)39-48(44,45)24-26-13-6-2-7-14-26/h2-3,6-9,13-16,18-21,25,30-31,34,39,43H,1,4-5,10-12,17,22-24H2,(H3,36,37)(H,38,41)/t30-,31+,34-,47-/m1/s1
Definition date:	2019-10-24
Last modified:	2024-09-27
Release date:	2020-11-18
Identifier:	[(4-carbamimidoylphenyl)-[[(2~{S})-1-[(2~{R})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid

TDJ

TDJ
Name:	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
Formula:	C22 H13 N2 O6 Ru S
SMILES:	C/%12SC(C(C(=O)O)NC(=O)CCC(C9%10C8C7C%11[Ru]6432789(C1C5C4C3C12)C%10%11)=O)N=C(C%12=C)C(=O)O
InChi:	InChI=1S/C17H17N2O6S.C5H5.Ru/c1-9-8-26-15(19-13(9)16(22)23)14(17(24)25)18-12(21)7-6-11(20)10-4-2-3-5-10
Definition date:	2020-03-19
Last modified:	2024-09-27
Release date:	2020-04-01
Identifier:	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium

W6X

W6X
Name:	1,1,1-tris(fluoranyl)propan-2-one
Formula:	C3 H3 F3 O
SMILES:	CC(=O)C(F)(F)F
InChi:	InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3
Definition date:	2020-06-06
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	1,1,1-tris(fluoranyl)propan-2-one

TRO

TRO
Name:	2-HYDROXY-TRYPTOPHAN
Formula:	C11 H12 N2 O3
SMILES:	O=C(O)C(N)Cc2c1ccccc1nc2O
InChi:	InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-hydroxy-L-tryptophan

MV0

MV0
Name:	7-acetyl-4-methoxy-1-benzofuran-3(2H)-one
Formula:	C11 H10 O4
SMILES:	CC(=O)c1ccc(OC)c2c1OCC2=O
InChi:	InChI=1S/C11H10O4/c1-6(12)7-3-4-9(14-2)10-8(13)5-15-11(7)10/h3-4H,5H2,1-2H3
Definition date:	2022-03-17
Last modified:	2024-09-27
Release date:	2023-01-25
Identifier:	7-acetyl-4-methoxy-1-benzofuran-3(2H)-one

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